2-Aminobenzoic acid (Anthranilic acid) [C7H7NO2]

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2018-08-17 23h:57m:32s (UTC)

H 2N O

1. Query HO

Search as: As drawn ) AND (IDE.XRN=471803) OR (IDE.XRN=3735721) OR (IDE.XRN=4031210) OR (IDE.XRN=3912906))

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Reaxys ID 471803 View in Reaxys

1/4 CAS Registry Number: 118-92-3 Chemical Name: anthranilic acid; 2-Aminobenzoic acid; anthranilic Acid Linear Structure Formula: H2N(C6H4)COOH Molecular Formula: C7H7NO2 Molecular Weight: 137.138 Type of Substance: isocyclic InChI Key: RWZYAGGXGHYGMB-UHFFFAOYSA-N Note:

H 2N O

HO

Substance Label (269) Label References 6a

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AA

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ana

Fischer, Franziska; Joester, Maike; Rademann, Klaus; Emmerling, Franziska; Chemistry - A European Journal; vol. 21; nb. 42; (2015); p. 14969 - 14974, View in Reaxys; Lukin, Stipe; Lončarić, Ivor; Tireli, Martina; Stolar, Tomislav; Blanco, Maria V.; Lazić, Predrag; Užarević, Krunoslav; Halasz, Ivan; Crystal Growth and Design; vol. 18; nb. 3; (2018); p. 1539 - 1547, View in Reaxys

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Barve, Indrajeet J.; Thikekar, Tushar Ulhas; Sun, Chung-Ming; Organic Letters; vol. 19; nb. 9; (2017); p. 2370 2373, View in Reaxys; Zhao, Chun-Yang; Li, Kun; Pang, Yu; Li, Jia-Qing; Liang, Cui; Su, Gui-Fa; Mo, DongLiang; Advanced Synthesis and Catalysis; vol. 360; nb. 10; (2018); p. 1919 - 1925, View in Reaxys

AS

Burek, Katja; Eidner, Sascha; Kuke, Stefanie; Kumke, Michael U.; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 191; (2018); p. 36 - 49, View in Reaxys

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Pi, Danwei; Zhou, Haifeng; Zhou, Yanmei; Liu, Qixing; He, Renke; Shen, Guanshuo; Uozumi, Yasuhiro; Tetrahedron; vol. 74; nb. 17; (2018); p. 2121 - 2129, View in Reaxys

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2-AMB

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Anth

Mahdi, Saba H.; Abdul Karem, Lekaa K.; Oriental Journal of Chemistry; vol. 34; nb. 3; (2018); p. 1565 - 1572, View in Reaxys

IV

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3e

Kang, Young-Jin; Chung, Hyun-A; Kim, Jeum-Jong; Yoon, Yong-Jin; Synthesis; nb. 6; (2002); p. 733 - 738, View in Reaxys; Reddy, P. Linga; Tripathi, Mohit; Arundhathi; Rawat, Diwan S.; Chemistry - An Asian Journal; vol. 12; nb. 7; (2017); p. 785 - 791, View in Reaxys

8a

El-Gaby, Mohamed S. A.; Micky, Jehane A.; Taha, Nadia M.; El-Sharief, Marwa A. M. Sh.; Journal of the Chinese Chemical Society; vol. 49; nb. 3; (2002); p. 407 - 414, View in Reaxys; Czaun, Miklos; Speier, Gabor; Tetrahedron Letters; vol. 43; nb. 34; (2002); p. 5961 - 5963, View in Reaxys; Ramakrishna, K. Kumar G.; Thakur, Ravi Kumar; Pasam, Venkata Reddy; Pandey, Jyotsana; Mahar, Rohit; Shukla, Sanjeev K.; Tamrakar, Akhilesh K.; Tripathi, Rama Pati; Tetrahedron; vol. 73; nb. 2; (2017); p. 187 - 203, View in Reaxys

3b

Selva, Maurizio; Tundo, Pietro; Perosa, Alvise; Journal of Organic Chemistry; vol. 68; nb. 19; (2003); p. 7374 - 7378, View in Reaxys; Davies, Geraint H. M.; Mukhtar, Asma; Saeednia, Borna; Sherafat, Fatemeh; Kelly, Christopher B.; Molander, Gary A.; Journal of Organic Chemistry; vol. 82; nb. 10; (2017); p. 5380 - 5390, View in Reaxys

9

Erb, Bernhard; Kucma, Jean-Philippe; Mourey, Sandrine; Struber, Fritz; Chemistry - A European Journal; vol. 9; nb. 11; (2003); p. 2582 - 2588, View in Reaxys; Wojtowicz; Chojnacka; Mlochowski; Palus; Syper; Hudecova; Uher; Piasecki; Rybka; Farmaco; vol. 58; nb. 12; (2003); p. 1235 - 1242, View in Reaxys; Hayashi, Kenta; Inoue,

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Casini; Scozzafava; Mincione; Menabuoni; Ilies; Supuran; Journal of Medicinal Chemistry; vol. 43; nb. 25; (2000); p. 4884 - 4892, View in Reaxys; Pacuła, Agata J.; Kaczor, Katarzyna B.; Wojtowicz, Angelika; Antosiewicz, Jędrzej; Janecka, Anna; Długosz, Angelika; Janecki, Tomasz; Ścianowski, Jacek; Bioorganic and Medicinal Chemistry; vol. 25; nb. 1; (2017); p. 126 - 131, View in Reaxys; Liu, Shuai; Dai, Haofu; Heering, Christian; Janiak, Christoph; Lin, Wenhan; Liu, Zhen; Proksch, Peter; Tetrahedron Letters; vol. 58; nb. 3; (2017); p. 257 - 261, View in Reaxys

2d

Lovric, Marija; Cepanec, Ivica; Litvic, Mladen; Bartolincic, Anamarija; Vinkovic, Vladimir; Croatica Chemica Acta; vol. 80; nb. 1; (2007); p. 109 - 115, View in Reaxys; Osipov; Anis’kov; Yegorova, A. Yu.; Russian Journal of Organic Chemistry; vol. 53; nb. 2; (2017); p. 210 - 214; Zh. Org. Khim.; vol. 53; nb. 2; (2017); p. 219 - 222,4, View in Reaxys; Osipov, Alexander K.; Anis'kov, Alexander A.; Grinev, Vyacheslav S.; Yegorova, Alevtina Yu.; Magnetic Resonance in Chemistry; vol. 55; nb. 8; (2017); p. 730 - 737, View in Reaxys

1e

Le, Zhang-Gao; Chen, Zhen-Chu; Hu, Yi; Zheng, Qin-Guo; Synthesis; nb. 17; (2004); p. 2809 - 2812, View in Reaxys; Koshti; Sonar; Sonawane; Pawar; Nagle; Mahulikar; More; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 47; nb. 2; (2008); p. 329 - 331, View in Reaxys; Ziyaei Halimehjani, Azim; Goudarzi, Mehri; Lotfi Nosood, Yazdanbakhsh; Synthetic Communications; vol. 47; nb. 21; (2017); p. 2022 - 2029, View in Reaxys

5

Wang, Shouming; Ryder, Hamish; Pretswell, Ian; Depledge, Paul; Milton, John; Hancox, Timothy C.; Dale, Ian; Dangerfield, Wendy; Charlton, Peter; Faint, Richard; Dodd, Rory; Hassan, Stephanie; Bioorganic & Medicinal Chemistry Letters; vol. 12; nb. 4; (2002); p. 571 - 574, View in Reaxys; Hamad Elgazwy, Abdel-Sattar S.; Azab, Mohamed E.; Phosphorus, Sulfur and Silicon and Related Elements; vol. 173; (2001); p. 105 - 113, View in Reaxys; Hamad; Azab; Bollettino Chimico Farmaceutico; vol. 140; nb. 4; (2001); p. 233 - 237, View in Reaxys; Papadopoulou, Maria V.; Rosenzweig, Howard S.; Bloomer, William D.; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 6; (2004); p. 1523 - 1525, View in Reaxys; Krasnokutskaya, Elena A.; Semenischeva, Nadya I.; Filimonov, Victor D.; Knochel, Paul; Synthesis; nb. 1; (2007); p. 81 - 84, View in Reaxys; Lavrado, Joao; Paulo, Alexandra; Gut, Jiri; Rosenthal, Philip J.; Moreira, Rui; Bioorganic and Medicinal Chemistry Letters; vol. 18; nb. 4; (2008); p. 1378 1381, View in Reaxys; Samrin, Farhana; Sharma, Akash; Khan, Inshad Ali; Puri, Sadhna; Journal of Heterocyclic Chemistry; vol. 49; nb. 6; (2012); p. 1391 - 1397, View in Reaxys; Williams, Spencer J.; Zammit, Steven C.; Cox, Alison J.; Shackleford, David M.; Morizzi, Julia; Zhang, Yuan; Powell, Andrew K.; Gilbert, Richard E.; Krum, Henry; Kelly, Darren J.; Bioorganic and Medicinal Chemistry Letters; vol. 23; nb. 24; (2013); p. 6868 - 6873, View in Reaxys; Stoyanovsky, Detcho A.; Jiang, Jianfei; Murphy, Michael P.; Epperly, Michael; Zhang, Xiaolan; Li, Song; Greenberger, Joel; Kagan, Valerian; Bayr, Hülya; ACS Medicinal Chemistry Letters; vol. 5; nb. 12; (2014); p. 1304 - 1307, View in Reaxys; Hosford, Joseph; Shepherd, Sarah A.; Micklefield, Jason; Wong, Lu Shin; Chemistry - A European Journal; vol. 20; nb. 50; (2014); p. 16759 - 16763, View in Reaxys; Colosimo, Dominic A.; Macmillan, John B.; Journal of the American Chemical Society; vol. 138; nb. 7; (2016); p. 2383 - 2388, View in Reaxys; Menon, Binuraj R. K.; Latham, Jonathan; Dunstan, Mark S.; Brandenburger, Eileen; Klemstein, Ulrike; Leys, David; Karthikeyan, Chinnan; Greaney, Michael F.; Shepherd, Sarah A.; Micklefield, Jason; Organic and Biomolecular Chemistry; vol. 14; nb. 39; (2016); p. 9354 - 9361, View in Reaxys; Nisa, Mehr-un; Munawar, Munawar A.; Iqbal, Amber; Ahmed, Asrar; Ashraf, Muhammad; Gardener, Qurra-tul-Ann A.; Khan, Misbahul A.; European Journal of Medicinal Chemistry; vol. 138; (2017); p. 396 - 406, View in Reaxys; Lopes, João P. B.; Da Costa, Jessie S.; Ceschi, Marco A.; Gonçalves, Carlos A. S.; Konrath, Eduardo L.; Karl; Guedes, Isabella A.; Dardenne, Laurent E.; Journal of the Brazilian Chemical Society; vol. 28; nb. 11; (2017); p. 2218 - 2228, View in Reaxys

28

Patent; Stockwell, Brent R.; US2008/299076; (2008); (A1) English, View in Reaxys; Chen, Yan-Xiu; Xu, MengYang; Li, Hou-Jin; Zeng, Kun-Jiao; Ma, Wen-Zhe; Tian, Guo-Bao; Xu, Jun; Yang, De-Po; Lan, Wen-Jian; Marine Drugs; vol. 15; nb. 11; (2017); Art.No: 339, View in Reaxys

27

Patent; CONCIL OF SCIENTIFIC and INDUSTRIAL RESEARCH; KAMAL, Ahmed; SULTANA, Farheen; BHARATHI, Erla Vijaya; SRIKANTH, Yellamelli Valli Venkata; VISWANATH, Arutla; SWAPNA, Ponnampalli; WO2012/111017; (2012); (A1) English, View in Reaxys; Patent; Council of Scientific and Industrial Research; Kamal, Ahmed; Sultana, Farheen; Bharathi, Erla Vijaya; Srikanth, Yellamelli Valli Venkata; Viswanath, Arutla; Swapna, Ponnampalli; US2013/317221; (2013); (A1) English, View in Reaxys; Patent; THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; LANDRY, Donald, W.; DENG, Shixian; FIORITO, Jole; ARANCIO, Ottavio; WASMUTH, Andrew; WO2015/9930; (2015); (A2) English, View in Reaxys; Ma, XiaoDong; Qiu, Ni; Yang, Bo; He, Qiao-Jun; Hu, Yong-Zhou; MedChemComm; vol. 7; nb. 2; (2016); p. 297 - 310, View in Reaxys; Aderibigbe, Blessing A.; Green, Ivan R.; Mabank, Tanya; Janse van Rensburg, Mari; Morgans, Garreth L.; Fernandes, Manuel A.; Michael, Joseph P.; van Otterlo, Willem A.L.; Tetrahedron; vol. 73; nb. 31; (2017); p. 4671 - 4683, View in Reaxys

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A

Park, Woong Jae; Ma, Eunsook; Molecules; vol. 17; nb. 11; (2012); p. 13116 - 13131, View in Reaxys; Liu, Zhikun; Fang, Lei; Zhang, Huan; Gou, Shaohua; Chen, Li; Bioorganic and Medicinal Chemistry; vol. 25; nb. 8; (2017); p. 2387 - 2398, View in Reaxys

11a

Barbosa, Maria Leticia De Castro; Lima, Lidia Moreira; Tesch, Roberta; Sant'Anna, Carlos Mauricio R.; Totzke, Frank; Kubbutat, Michael H.G.; Schaechtele, Christoph; Laufer, Stefan A.; Barreiro, Eliezer J.; European Journal of Medicinal Chemistry; vol. 71; (2014); p. 1 - 14, View in Reaxys; Fiorito, Jole; Vendome, Jeremie; Saeed, Faisal; Staniszewski, Agnieszka; Zhang, Hong; Yan, Shijun; Deng, Shi-Xian; Arancio, Ottavio; Landry, Donald W.; Journal of Medicinal Chemistry; vol. 60; nb. 21; (2017); p. 8858 - 8875, View in Reaxys

20

McKee, Mary; Haner, Jamie; Carlson, Emily; Tam, William; Synthesis (Germany); vol. 46; nb. 11; (2014); p. 1518 1524; Art.No: SS-2014-M0021-OP, View in Reaxys; Peón, Antonio; Robles, Adrián; Blanco, Beatriz; Convertino, Marino; Thompson, Paul; Hawkins, Alastair R.; Caflisch, Amedeo; González-Bello, Concepción; ChemMedChem; vol. 12; nb. 18; (2017); p. 1512 - 1524, View in Reaxys

1aa

Lishchynskyi, Anton; Berthon, Guillaume; Grushin, Vladimir V.; Chemical Communications; vol. 50; nb. 71; (2014); p. 10237 - 10240, View in Reaxys; Li, Jianjun; Qin, Cong; Yu, Yang; Fan, Huaqiang; Fu, Yiwei; Li, Hao; Wang, Wei; Advanced Synthesis and Catalysis; vol. 359; nb. 13; (2017); p. 2191 - 2195, View in Reaxys; Li, Jianjun; Fu, Yiwei; Qin, Cong; Yu, Yang; Li, Hao; Wang, Wei; Organic and Biomolecular Chemistry; vol. 15; nb. 31; (2017); p. 6474 - 6477, View in Reaxys

V

Patent; Wenzhou University; Chen, Jiuxi; Qiao, Rui; Yang, Weiguang; Wu, Huayue; Liu, Miaochang; Ding, Jinchang; (13 pag.); CN104557942; (2016); (B) Chinese, View in Reaxys; Patent; Wenzhou University; Qiao Rui; Chen Jiuxi; Chen Fanglin; Yang Weiguang; Wu Huayue; (14 pag.); CN104725385; (2017); (B) Chinese, View in Reaxys

18a

Pitta, Eleni; Balabon, Olga; Rogacki, Maciej K.; Gómez, Jesús; Cunningham, Fraser; Joosens, Jurgen; Augustyns, Koen; van der Veken, Pieter; Bates, Robert; European Journal of Medicinal Chemistry; vol. 125; (2017); p. 890 - 901, View in Reaxys

4l

Joshi, Shrinivas D.; Dixit, Sheshagiri R.; Kulkarni, Venkatarao H.; Lherbet, Christian; Nadagouda, Mallikarjuna N.; Aminabhavi, Tejraj M.; European Journal of Medicinal Chemistry; vol. 126; (2017); p. 286 - 297, View in Reaxys

SM2h

Iturmendi, Amaia; Iglesias, Manuel; Munárriz, Julen; Polo, Victor; Pérez-Torrente, Jesús J.; Oro, Luis A.; Chemical Communications; vol. 53; nb. 2; (2017); p. 404 - 407, View in Reaxys

14s

Batuta, Shaikh; Begum, Naznin Ara; Synthetic Communications; vol. 47; nb. 2; (2017); p. 137 - 147, View in Reaxys

L%1&H

Basu Baul, Tushar S.; Dutta, Dhrubajyoti; Duthie, Andrew; Guedes da Silva, M. Fátima C.; Inorganica Chimica Acta; vol. 455; (2017); p. 627 - 637, View in Reaxys

15d

Iyer, Vishwanathan Balasubramanya; Gurupadayya, Bannimath; Koganti, Venkata Sairam; Inturi, Bharthkumar; Chandan, Ravandur Shivanna; Medicinal Chemistry Research; vol. 26; nb. 1; (2017); p. 190 - 204, View in Reaxys

DG1

Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J.; Organic Letters; vol. 19; nb. 5; (2017); p. 1140 - 1143, View in Reaxys

S11

Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.; Journal of the American Chemical Society; vol. 139; nb. 1; (2017); p. 492 - 516, View in Reaxys

2h-2

Qiu, Lin; Tian, Kai; Pan, Jian; Jiang, Lin; Yang, Hu; Zhu, Xiangcheng; Shen, Ben; Duan, Yanwen; Huang, Yong; Tetrahedron; vol. 73; nb. 6; (2017); p. 771 - 775, View in Reaxys

6r

Ručil, Tomáš; Trávníček, Zdeněk; Cankař, Petr; Journal of Organic Chemistry; vol. 82; nb. 1; (2017); p. 723 - 730, View in Reaxys

S2

Yen, Andy; Choo, Ken-Loon; Yazdi, Shabnam K.; Franke, Patrick T.; Webster, Robert; Franzoni, Ivan; Loh, Charles C. J.; Poblador-Bahamonde, Amalia I.; Lautens, Mark; Angewandte Chemie - International Edition; vol. 56; nb. 22; (2017); p. 6307 - 6311; Angew. Chem.; vol. 129; (2017); p. 6404 - 6408,5, View in Reaxys

T7

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43a

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ANT

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A-1; B-1

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1p

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S19

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s1d

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Ajani, Olayinka O.; Aderohunmu, Damilola V.; Olorunshola, Shade J.; Ikpo, Chinwe O.; Olanrewaju, Ifedolapo O.; Oriental Journal of Chemistry; vol. 32; nb. 1; (2016); p. 109 - 120, View in Reaxys

E1

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2i

Yang, Fan; Dong, Sen; Wang, Chunxia; Li, Yongfeng; RSC Advances; vol. 6; nb. 58; (2016); p. 52620 - 52626, View in Reaxys

1i

Singh, Gurjaspreet; Rani, Sunita; Arora, Aanchal; Aulakh, Darpandeep; Wriedt, Mario; New Journal of Chemistry; vol. 40; nb. 7; (2016); p. 6200 - 6213, View in Reaxys

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III&1%

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49

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2g(II)

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AnAc

Patent; Universiteit Maastricht; Academisch Ziekenhuis Maastricht; VAN DELFT, Joseph, Henri, Marie; KLEINJANS, Joseph, Catharina, Stephanus; MAGKOUFOPOULOU, Christina; JENNEN, Danyel, Gerardus, Jacobus; (29 pag.); EP2710374; (2016); (B1) English, View in Reaxys

A1

Patent; Guangdong University of Technology; Zhao, Suqing; Jiang, Zhengyun; Wu, Panpan; Zhang, Kun; Hong, Weiqian; Cui, Xiping; Chen, Yingshan; Hu, Qingqing; Jiao, Luoying; Xia, Nana; Chen, Ding; (21 pag.); CN106083742; (2016); (A) Chinese, View in Reaxys

9c

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8b

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o-AB

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3g

Shah, Nimesh; Gravel, Edmond; Jawale, Dhanaji V.; Doris, Eric; Namboothiri, Irishi N.N.; ChemCatChem; vol. 6; nb. 8; (2014); p. 2201 - 2205, View in Reaxys; Valizadeh, Hassan; Shomali, Ashkan; Nourshargh, Saideh; Mohammad-Rezaei, Rahim; Dyes and Pigments; vol. 113; (2015); p. 522 - 528, View in Reaxys

1; 7

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H&2%aa

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Starting material 16 Patent; Rao, Jagannath Madanahalli Ranganath; Venkatesham, Uppala; George, Jenson; Fernand, George; Doppalapudi, Sivanageswara Rao; Madhavan, G R; Arumugam, Nagarajan; Ansari, Mohammed; Murugavel, K.; Pradeep, Jidugu; Allavuddeen, Sulthan; Vijayaramalingam, K.; Prasad, Hampelingaiah Shiva; Raj, Augustine Michael; Gnanavel, S.; Kottamalai, Ramamoorthy; Babu, Naresh M P S; Kenchegowda, Bommegowda Yadaganahalli; US2015/158860; (2015); (A1) English, View in Reaxys S7

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S8a

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T1S2

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1l

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6g

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5a,5e

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11k

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2AA

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sm-4

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ABZ

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2AMB

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15a

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E4

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Chandrasekhar, Vadapalli; Kumar, Arun; Pandey, Mrituanjay D.; Metre, Ramesh K.; Polyhedron; vol. 52; (2013); p. 1362 - 1368, View in Reaxys

37

Stoessel, Anne; Schlenk, Miriam; Hinz, Sonja; Kueppers, Petra; Heer, Jag; Guetschow, Michael; Mueller, Christa E.; Journal of Medicinal Chemistry; vol. 56; nb. 11; (2013); p. 4580 - 4596, View in Reaxys

8d

Sleebs, Brad E.; Kersten, Wilhemus J. A.; Kulasegaram, Sanji; Nikolakopoulos, George; Hatzis, Effie; Moss, Rebecca M.; Parisot, John P.; Yang, Hong; Czabotar, Peter E.; Fairlie, W. Douglas; Lee, Erinna F.; Adams, Jerry M.; Chen, Lin; Van Delft, Mark F.; Lowes, Kym N.; Wei, Andrew; Huang, David C.S.; Colman, Peter M.; Street, Ian P.; Baell, Jonathan B.; Watson, Keith; Lessene, Guillaume; Journal of Medicinal Chemistry; vol. 56; nb. 13; (2013); p. 5514 - 5540, View in Reaxys

5c

Shahid, Bilal; Zia-Ur-Rehman, Muhammad; Ahmed, Naveed; Abbasi, Muhammad Athar; Zaheer, Muhammad; Asian Journal of Chemistry; vol. 25; nb. 11; (2013); p. 6334 - 6338, View in Reaxys

1-2

Yin, Ruijuan; Zhang, Meng; Hao, Cui; Wang, Wei; Qiu, Peiju; Wan, Shengbiao; Zhang, Lijuan; Jiang, Tao; Chemical Communications; vol. 49; nb. 76; (2013); p. 8516 - 8518, View in Reaxys

Starting Material-16

Patent; CONNEXIOS LIFE SCIENCES PVT. LTD.; RAO, Jagannath Madanahalli Ranganath; VENKATESHAM, Uppala; GEORGE, Jenson; FERNAND, George; DOPPALAPUDI, Sivanageswara Rao; MADHAVAN, G R; ARUMUGAM, Nagarajan; ANSARI, Mohammed; MURUGAVEL, K; PRADEEP, Jidugu; ALLAVUDDEEN, Sulthan; VIJAYARAMALINGAM, K; PRASAD, Hampelingaiah Shiva; RAJ, Augustine Michael; GNANAVEL, S; KOTTAMALAI, Ramamoorthy; BABU, Naresh M P S; KENCHEGOWDA, Bommegowda Yadaganahalli; WO2013/128465; (2013); (A1) English, View in Reaxys

CXXIV

Patent; Samumed, LLC; Hood, John; Kumar KC, Sunil; Wallace, David Mark; US2013/296302; (2013); (A1) English, View in Reaxys

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H[Bz-o-NH2]

Ando, Takashi; Kohno, Yuki; Nakamura, Nobuhumi; Ohno, Hiroyuki; Chemical Communications; vol. 49; nb. 87; (2013); p. 10248 - 10250, View in Reaxys

1; 3a; 3

Mao, Fei; Chen, Jianwen; Zhou, Qi; Luo, Zonghua; Huang, Ling; Li, Xingshu; Bioorganic and Medicinal Chemistry Letters; vol. 23; nb. 24; (2013); p. 6737 - 6742, View in Reaxys

14e

Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.; Organic and Biomolecular Chemistry; vol. 11; nb. 48; (2013); p. 8348 - 8356, View in Reaxys

IIc

Popov, Yu. V.; Mokhov; Tankabekyan; Russian Journal of General Chemistry; vol. 83; nb. 12; (2013); p. 2350 - 2351; Zh. Obshch. Khim.; vol. 83; nb. 12; (2013); p. 2067 - 2068,2, View in Reaxys

12

Chen, Ping-Shu; Chou, Chin-Hsing; Tetrahedron; vol. 53; nb. 50; (1997); p. 17115 - 17126, View in Reaxys; Sarhan, Abd El-Wareth A. O.; Murakami, Makoto; Izumi, Taeko; Monatshefte fur Chemie; vol. 133; nb. 8; (2002); p. 1055 1066, View in Reaxys; Haner, Jamie; Jack, Kelsey; Menard, Michelle L.; Howell, Jennifer; Nagireddy, Jaipal; Raheem, Mohammed Abdul; Tam, William; Synthesis (Germany); vol. 44; nb. 17; (2012); p. 2713 - 2722, View in Reaxys

23

Roos, Gregory H. P.; Dastlik, Kim A.; Heterocycles; vol. 60; nb. 9; (2003); p. 2023 - 2044, View in Reaxys; Kim, Dooseop; Wang, Liping; Hale, Jeffrey J.; Lynch, Christopher L.; Budhu, Richard J.; MacCoss, Malcolm; Mills, Sander G.; Malkowitz, Lorraine; Gould, Sandra L.; Demartino, Julie A.; Springer, Martin S.; Hazuda, Daria; Miller, Michael; Kessler, Joseph; Hrin, Renee C.; Carver, Gwen; Carella, Anthony; Henry, Karen; Lineberger, Janet; Schleif, William A.; Emini, Emilio A.; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 8; (2005); p. 2129 - 2134, View in Reaxys; Verheij, Mark H. P.; Thompson, Andrew J.; Van Muijlwijk-Koezen, Jacqueline E.; Lummis, Sarah C. R.; Leurs, Rob; De Esch, Iwan J. P.; Journal of Medicinal Chemistry; vol. 55; nb. 20; (2012); p. 8603 - 8614, View in Reaxys

Compound 1; 1

Patent; Shionogi and Co., Ltd.; EP2426135; (2012); (A1) English, View in Reaxys

22

Gonzalez-Lopez De Turiso, Felix; Shin, Youngsook; Brown, Matthew; Cardozo, Mario; Chen, Yi; Fong, David; Hao, Xiaolin; He, Xiao; Henne, Kirk; Hu, Yi-Ling; Johnson, Michael G.; Kohn, Todd; Lohman, Julia; McBride, Helen J.; McGee, Lawrence R.; Medina, Julio C.; Metz, Daniela; Miner, Kent; Mohn, Deanna; Pattaropong, Vatee; Seganish, Jennifer; Simard, Jillian L.; Wannberg, Sharon; Whittington, Douglas A.; Yu, Gang; Cushing, Timothy D.; Journal of Medicinal Chemistry; vol. 55; nb. 17; (2012); p. 7667 - 7685, View in Reaxys; Kuemmerle, Arthur E.; Schmitt, Martine; Cardozo, Suzana V. S.; Lugnier, Claire; Villa, Pascal; Lopes, Alexandra B.; Romeiro, Nelilma C.; Justiniano, Helene; Martins, Marco A.; Fraga, Carlos A. M.; Bourguignon, Jean-Jacques; Barreiro, Eliezer J.; Journal of Medicinal Chemistry; vol. 55; nb. 17; (2012); p. 7525 - 7545, View in Reaxys

5l

Chauhan, Jay; Fletcher, Steven; Tetrahedron Letters; vol. 53; nb. 37; (2012); p. 4951 - 4954, View in Reaxys

GS-1004

Meek, Autumn R.; Simms, Gordon A.; Weaver, Donald F.; Canadian Journal of Chemistry; vol. 90; nb. 10; (2012); p. 865 - 873, View in Reaxys

54

Patent; SUVEN LIFE SCIENCES LIMITED; NIROGI, Ramakrishna; MOHAMMED, Abdul, Rasheed; AHMAD, Ishtiyaque; JAYARAJAN, Pradeep; KANDIKERE, Nagaraj, Vishwottam; SHINDE, Anil, Karbhari; KAMBHAMPATI, Rama, Sastri; BHYRAPUNENI, Gopinadh; RAVULA, Jyothsna; PATNALA, Sriramachandra, Murthy; JASTI, Venkateswarlu; WO2011/30349; (2011); (A1) English, View in Reaxys

AN

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; DECKERS, Tom; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116256; (2010); (A2) English, View in Reaxys

30

Li, Jian; Chen, Jing; Gui, Chunshan; Zhang, Li; Qin, Yu; Xu, Qiang; Zhang, Jian; Liu, Hong; Shen, Xu; Jiang, Hualiang; Bioorganic and Medicinal Chemistry; vol. 14; nb. 7; (2006); p. 2209 - 2224, View in Reaxys; Patent; PURDUE PHARMA L.P.; WO2009/87564; (2009); (A1) English, View in Reaxys

substrate, T/E 19,20 Kamal, Ahmed; Reddy, J. Surendranadha; Bharathi, E. Vijaya; Dastagiri; Tetrahedron Letters; vol. 49; nb. 2; (2008); p. 348 - 353, View in Reaxys o-ABA

Gichner; Voutsinas; Patrineli; Kappas; Plewa; Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis; vol. 309; nb. 2; (1994); p. 201 - 210, View in Reaxys; Liu, Zhimin; Yang, Guanying; Ge, Lei; Han, Buxing; Journal of Chemical and Engineering Data; vol. 45; nb. 6; (2000); p. 1179 - 1181, View in Reaxys; Preechaworapun, Anchana; Ivandini, Tribidasari A.; Suzuki, Akane; Fujishima, Akira; Chailapakul, Orawon; Einaga, Yasuaki; Analytical Chemistry; vol. 80; nb. 6; (2008); p. 2077 - 2083, View in Reaxys

starting to 26/27

Brown, David P.; Duong, Hoan Q.; Journal of Heterocyclic Chemistry; vol. 45; nb. 2; (2008); p. 435 - 443, View in Reaxys

table 1, entry 5

Khansole, Sandeep V.; Junne, Subhash B.; Sayyed, Mudassar A.; Vibhute, Yeshwant B.; Synthetic Communications; vol. 38; nb. 11; (2008); p. 1792 - 1798, View in Reaxys

1, X = H

Chandrika, P. Mani; Yakaiah; Rao, A. Raghu Ram; Narsaiah; Reddy, N. Chakra; Sridhar; Rao, J. Venkateshwara; European Journal of Medicinal Chemistry; vol. 43; nb. 4; (2008); p. 846 - 852, View in Reaxys

1h

Bentiss, Fouad; Lagrenee, Michel; Journal of Heterocyclic Chemistry; vol. 36; nb. 4; (1999); p. 1029 - 1032, View in Reaxys; Oezkan, Hamdi; Yavuz, Serkan; Disli, Ali; Yildirir, Yilmaz; Tuerker, Lemi; Heteroatom Chemis-

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try; vol. 18; nb. 3; (2007); p. 255 - 258, View in Reaxys; Cao, Sheng-Li; Zhang, Mei; Feng, Yu-Ping; Jiang, YuYang; Zhang, Nan; Synthetic Communications; vol. 38; nb. 13; (2008); p. 2227 - 2236, View in Reaxys educt to 20

Aly; Journal of Heterocyclic Chemistry; vol. 45; nb. 4; (2008); p. 993 - 998, View in Reaxys

AnA

Lebuhn, Michael; Heulin, Thierry; Hartmann, Anton; FEMS Microbiology Ecology; vol. 22; nb. 4; (1997); p. 325 334, View in Reaxys; Okuno, Alato; Fukuwatari, Tsutomu; Shibata, Katsumi; Bioscience, Biotechnology and Biochemistry; vol. 72; nb. 7; (2008); p. 1667 - 1672, View in Reaxys

26

Chakrabarty, Manas; Khasnobis, Shampa; Harigaya, Yoshihiro; Konda, Yaeko; Synthetic Communications; vol. 30; nb. 2; (2000); p. 187 - 200, View in Reaxys; Clift, Michael D.; Silverman, Richard B.; Bioorganic and Medicinal Chemistry Letters; vol. 18; nb. 10; (2008); p. 3122 - 3125, View in Reaxys

D

Patent; SK CHEMICALS CO., LTD.; LEADGENEX INC.; INDUSTRY ACADEMIC COOPERATION FOUNDATION OF KYUNGHEE UNIVERSITY; US2008/207614; (2008); (A1) English, View in Reaxys

educt to IIa-IIf

Vostrov; Novikov; Maslivets; Aliev; Russian Journal of Organic Chemistry; vol. 43; nb. 2; (2007); p. 224 - 227, View in Reaxys

to 3, R2=H

Zhang, Wei; Williams, John P.; Lu, Yimin; Nagashima, Tadamichi; Chu, Qainli; Tetrahedron Letters; vol. 48; nb. 4; (2007); p. 563 - 565, View in Reaxys

tab. 1, entry 10

Guin, Debanjan; Baruwati, Babita; Manorama, Sunkara V.; Organic Letters; vol. 9; nb. 7; (2007); p. 1419 - 1421, View in Reaxys

2h

Baqi, Younis; Muller, Christa E.; Organic Letters; vol. 9; nb. 7; (2007); p. 1271 - 1274, View in Reaxys

Ib

Shemchuk; Chernykh; Arzumanov; Krys'kiv; Russian Journal of Organic Chemistry; vol. 43; nb. 5; (2007); p. 719 722, View in Reaxys

3, X=H

Brnardic, Edward J.; Garbaccio, Robert M.; Fraley, Mark E.; Tasber, Edward S.; Steen, Justin T.; Arrington, Kenneth L.; Dudkin, Vadim Y.; Hartman, George D.; Stirdivant, Steven M.; Drakas, Bob A.; Rickert, Keith; Walsh, Eileen S.; Hamilton, Kelly; Buser, Carolyn A.; Hardwick, James; Tao, Weikang; Beck, Stephen C.; Mao, Xianzhi; Lobell, Robert B.; Sepp-Lorenzino, Laura; Yan, Youwei; Ikuta, Mari; Munshi, Sanjeev K.; Kuo, Lawrence C.; Kreatsoulas, Constantine; Bioorganic and Medicinal Chemistry Letters; vol. 17; nb. 21; (2007); p. 5989 5994, View in Reaxys

start to 13

Diring, Stephane; Retailleau, Pascal; Ziessel, Raymond; Tetrahedron Letters; vol. 48; nb. 45; (2007); p. 8069 - 8073, View in Reaxys

1; 9a

Jacob, Dominic E.; Mathew, Lopez; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 46; nb. 4; (2007); p. 664 - 668, View in Reaxys

2c

Kamal; Laxman; Arifuddin; Tetrahedron Letters; vol. 41; nb. 40; (2000); p. 7743 - 7746, View in Reaxys; Tugusheva; Ryabova; Solov'eva; Anisimova; Granik; Chemistry of Heterocyclic Compounds; vol. 37; nb. 7; (2001); p. 885 - 893, View in Reaxys; Potikha; Kovtunenko; Kisil; Chemistry of Heterocyclic Compounds; vol. 43; nb. 4; (2007); p. 460 469, View in Reaxys

MC-9A

Patent; AGFA-GEVAERT; WO2007/6636; (2007); (A2) English, View in Reaxys

2t

Yang, Haijian; Sun, Wen-Hua; Li, Zilong; Wang, Leyong; Synthetic Communications; vol. 32; nb. 15; (2002); p. 2395 - 2402, View in Reaxys; Vilaivan, Tirayut; Tetrahedron Letters; vol. 47; nb. 38; (2006); p. 6739 - 6742, View in Reaxys

2-H2NC6H4COOH Okuzumi, Tatsuya; Nakanishi, Eiji; Tsuji, Takashi; Makino, Shingo; Tetrahedron Letters; vol. 44; nb. 29; (2003); p. 5539 - 5542, View in Reaxys; Avetisyan; Alvandzhyan; Russian Journal of Organic Chemistry; vol. 42; nb. 7; (2006); p. 1063 - 1067, View in Reaxys start.to 1/6a (path.2)

Yushchenko, Dmytro A.; Bilokin', Mykhailo D.; Pyvovarenko, Oleksandr V.; Duportail, Guy; Mely, Yves; Pivovarenko, Vasyl G.; Tetrahedron Letters; vol. 47; nb. 6; (2006); p. 905 - 908, View in Reaxys

starting to 1a

Gouni, Srinivas Reddy; Carrington; Wright; Journal of Heterocyclic Chemistry; vol. 43; nb. 1; (2006); p. 171 - 175, View in Reaxys

6, R1=H

Liu, Ji-Feng; Wilson, Christopher J.; Ye, Ping; Sprague, Kevin; Sargent, Katie; Si, Ying; Beletsky, Galina; Yohannes, Daniel; Ng, Shi-Chung; Bioorganic and Medicinal Chemistry Letters; vol. 16; nb. 3; (2006); p. 686 - 690, View in Reaxys

tab2, susbt, entry7

Emmanuvel, Lourdusamy; Shukla, Ravi Kant; Sudalai, Arumugam; Gurunath, Suryavanshi; Sivaram, Swaminathan; Tetrahedron Letters; vol. 47; nb. 28; (2006); p. 4793 - 4796, View in Reaxys

1, X=H

Ouyang, Guiping; Zhang, Peiquan; Xu, Gangfang; Song, Baoan; Yang, Song; Jin, Linhong; Xue, Wei; Hu, Deyu; Lu, Ping; Chen, Zhuo; Molecules; vol. 11; nb. 6; (2006); p. 383 - 392, View in Reaxys

educt to ligands

Refat, Moamen S.; El-Deen, Ibrahim M.; Ibrahim, Hassan K.; El-Ghool, Samir; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 65; nb. 5; (2006); p. 1208 - 1220, View in Reaxys

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Substrate

Khosropour, Ahmad R.; Mohammadpoor-Baltork, Iraj; Ghorbankhani, Hamid; Tetrahedron Letters; vol. 47; nb. 21; (2006); p. 3561 - 3564, View in Reaxys

7(1)

Schuler, Elisabeth; Juanico, Nacho; Teixido, Jordi; Michelotti, Enrique L.; Borrell, Jose I.; Heterocycles; vol. 67; nb. 1; (2006); p. 161 - 173, View in Reaxys

8,R1=H,R2=H

Kamal, Ahmed; Shankaraiah; Devaiah; Reddy, K. Laxma; Tetrahedron Letters; vol. 47; nb. 51; (2006); p. 9025 9028, View in Reaxys

2-HOOCC6H4NH2 Ukrainets; Sidorenko; Gorokhova; Jaradat; Chemistry of Heterocyclic Compounds; vol. 42; nb. 3; (2006); p. 343 351, View in Reaxys o-H2NC6H4CO2H

Aly; Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences; vol. 61; nb. 8; (2006); p. 1012 - 1020, View in Reaxys

2-aba

Srinivasan; Sawant, Sarvesh C.; Dhuri, Sunder N.; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 41; nb. 2; (2002); p. 290 - 296, View in Reaxys; Samsonowicz; Hrynaszkiewicz; Swislocka; Regulska; Lewandowski; Journal of Molecular Structure; vol. 744-747; nb. SPEC. ISS.; (2005); p. 345 - 352, View in Reaxys

1 (R1=H)

Shcherbakova, Irina; Balandrin, Manuel F.; Fox, John; Ghatak, Anjan; Heaton, William L.; Conklin, Rebecca L.; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 6; (2005); p. 1557 - 1560, View in Reaxys

Tab. 1, entry i, amine

Yadav; Reddy; Satheesh; Raghavender Rao; Chemistry Letters; vol. 34; nb. 3; (2005); p. 340 - 341, View in Reaxys

educt to 3a-d

Pereira, Maria De Fatima; Picot, Laurent; Guillon, Jean; Leger, Jean-Michel; Jarry, Christian; Thiery, Valerie; Besson, Thierry; Tetrahedron Letters; vol. 46; nb. 20; (2005); p. 3445 - 3447, View in Reaxys

o-NH2C6H4CO2H

Uno, Hidemitsu; Watenabe, Hikaru; Yamashita, Yuko; Ono, Noboru; Organic and Biomolecular Chemistry; vol. 3; nb. 3; (2005); p. 448 - 453, View in Reaxys; Dandia, Anshu; Singh, Ruby; Sarawgi, Pritima; Journal of Fluorine Chemistry; vol. 125; nb. 12; (2004); p. 1835 - 1840, View in Reaxys

4, R2 = R3 = H

Patel, Rohit D.; Patel, Manish P.; Patel, Ranjan G.; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 44; nb. 9; (2005); p. 1944 - 1946, View in Reaxys

1<1>

Gil, Carmen; Braese, Stefan; Chemistry - A European Journal; vol. 11; nb. 9; (2005); p. 2680 - 2688, View in Reaxys

13a

Liu, Ji-Feng; Ye, Ping; Zhang, Bailin; Bi, Grace; Sargent, Katie; Yu, Libing; Yohannes, Daniel; Baldino, Carmen M.; Journal of Organic Chemistry; vol. 70; nb. 16; (2005); p. 6339 - 6345, View in Reaxys

B

Dockendorff, Chris; Sahli, Stefan; Olsen, Madeline; Milhau, Ludovic; Lautens, Mark; Journal of the American Chemical Society; vol. 127; nb. 43; (2005); p. 15028 - 15029, View in Reaxys

28c

Strakova; Strakovs; Petrova; Chemistry of Heterocyclic Compounds; vol. 41; nb. 5; (2005); p. 637 - 646, View in Reaxys

33, R=H

Lee, Jean; Chubb, Anthony J.; Moman, Edelmiro; McLoughlin, Brian M.; Sharkey, Caroline T.; Kelly, John G.; Nolan, Kevin B.; Devocelle, Marc; Fitzgerald, Desmond J.; Organic and Biomolecular Chemistry; vol. 3; nb. 20; (2005); p. 3678 - 3685, View in Reaxys

acid, 1

Abdel-Rahman, Taha M.; Journal of Heterocyclic Chemistry; vol. 42; nb. 7; (2005); p. 1257 - 1265, View in Reaxys

20a

Mahindroo, Neeraj; Ahmed, Zabeer; Bhagat, Asha; Bedi, Kasturi Lal; Khajuria, Ravi Kant; Kapoor, Vijay Kumar; Dhar, Kanaya Lal; Medicinal Chemistry Research; vol. 14; nb. 6; (2005); p. 347 - 368, View in Reaxys

start to LH2

El-Sonbati; Belal; El-Wakeel; Hussien; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 60; nb. 4; (2004); p. 965 - 972, View in Reaxys

t.1, product, No.5

Iyer, Suresh; Kulkarni, Girish M.; Synthetic Communications; vol. 34; nb. 4; (2004); p. 721 - 725, View in Reaxys

10a

El-Sharief; Ammar; Zahran; Sabet; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 179; nb. 2; (2004); p. 267 - 275, View in Reaxys; El-Azzounyl, Aida A.; Maklad, Yousreya A.; Bartsch, Herbert; Zaghary, Wafaa A.; Ibrahim, Waleed M.; Mohamed, Mosaad S.; Scientia Pharmaceutica; vol. 71; nb. 4; (2003); p. 331 - 356, View in Reaxys

5a (Fig. 1.)

Rao, U. Narasimha; Sathunuru, Ramadas; Maguire, John A.; Biehl, Ed; Journal of Heterocyclic Chemistry; vol. 41; nb. 1; (2004); p. 13 - 21, View in Reaxys

Tab.1.col.1.run 3

Lu, Yuhua; Taylor, Richard T.; Heterocycles; vol. 62; (2004); p. 869 - 876, View in Reaxys

II (Y=2-COOH)

Dandia, Anshu; Singh, Ruby; Arya, Kapil; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 179; nb. 3; (2004); p. 551 - 564, View in Reaxys

4 (R1=R2=H)

Peukert, Stefan; Brendel, Joachim; Pirard, Bernard; Struebing, Carsten; Kleemann, Heinz-Werner; Boehme, Thomas; Hemmerle, Horst; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 11; (2004); p. 2823 - 2827, View in Reaxys

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2-NH2-C6H4COOH

Cledera, Pilar; Sanchez, J. Domingo; Caballero, Esmeralda; Avendano, Carmen; Ramos, M. Teresa; Menendez, J. Carlos; Synlett; nb. 5; (2004); p. 803 - 806, View in Reaxys

o-NH2-C6H4COOH

Morgun; Khabalov; Russian Journal of Physical Chemistry A; vol. 78; nb. 5; (2004); p. 786 - 789, View in Reaxys

educt to 5a-d

Lee, Eung Seok; Son, Jong Keun; Na, Young Hwa; Jahng, Yurngdong; Heterocyclic Communications; vol. 10; nb. 4-5; (2004); p. 325 - 330, View in Reaxys

2-HO2CC6H4NH2

Mashraqui, Sabir Hussain; Shivaji, Jadhav Latika; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 43; nb. 5; (2004); p. 927 - 935, View in Reaxys

Table I-14, product

Tillu, Vasudha H.; Wakharkar, Radhika D.; Pandey, Rajesh K.; Kumar, Pradeep; Indian Journal of Chemistry Section B Organic and Medicinal Chemistry; vol. 43; nb. 5; (2004); p. 1004 - 1007, View in Reaxys

2 (X = 2-COOH)

Pasha; Jayashankara; Journal of Chemical Research; nb. 4; (2004); p. 282 - 283, View in Reaxys

Table I, entry 14

Kazemi, Foad; Kiasat, Ali Reza; Mombaini, Began; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 179; nb. 6; (2004); p. 1187 - 1191, View in Reaxys

4n

Hajipour; Imanieh; Pourmousavi; Synthetic Communications; vol. 34; nb. 24; (2004); p. 4597 - 4604, View in Reaxys

4, Ar=2HO2CC6H4

Sajiki, Hironao; Ikawa, Takashi; Hirota, Kosaku; Organic Letters; vol. 6; nb. 26; (2004); p. 4977 - 4980, View in Reaxys

2(H2N)C6H4CO2H

Rajnikant; Dinesh; Kamni; Deshmukh; Journal of Chemical Crystallography; vol. 34; nb. 7; (2004); p. 471 - 475, View in Reaxys

product 7

Pasha; Jayashankara; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 43; nb. 11; (2004); p. 2464 - 2466, View in Reaxys

A9

Chen, Yen Ting; Seto, Christopher T.; Bioorganic and Medicinal Chemistry; vol. 12; nb. 12; (2004); p. 3289 - 3298, View in Reaxys

8e

Kamal, Ahmed; Srinivasa Reddy; Rajendra Prasad; Hari Babu; Ramana, A. Venkata; Tetrahedron Letters; vol. 45; nb. 34; (2004); p. 6517 - 6521, View in Reaxys

Educt, Tab. 1, run 8 Wu, Yong-Qian; Limburg, David C.; Wilkinson, Douglas E.; Hamilton, Gregory S.; Journal of Heterocyclic Chemistry; vol. 40; nb. 1; (2003); p. 191 - 193, View in Reaxys starting to 5

Rudas, Monika; Nyerges, Miklos; Toke, Laszlo; Groundwater, Paul W.; Heterocycles; vol. 60; nb. 4; (2003); p. 817 824, View in Reaxys

T.1, c, prod.

Kamal, Ahmed; Reddy, K. Laxma; Devaiah; Reddy, G. Suresh Kumar; Tetrahedron Letters; vol. 44; nb. 25; (2003); p. 4741 - 4745, View in Reaxys

T.1, i, prod.

Kamal, Ahmed; Reddy, K. Laxma; Devaiah; Reddy, G. Suresh Kumar; Tetrahedron Letters; vol. 44; nb. 25; (2003); p. 4741 - 4745, View in Reaxys

educt to 9

Eissa; Heterocyclic Communications; vol. 9; nb. 2; (2003); p. 181 - 188, View in Reaxys

2f

Jacob, Raquel G.; Perin, Gelson; Botteselle, Giancarlo V.; Lenardao, Eder J.; Tetrahedron Letters; vol. 44; nb. 36; (2003); p. 6809 - 6812, View in Reaxys

2-NH2PhCOOH

Schwinn, Dominik; Glatz, Heiko; Bannwarth, Willi; Helvetica Chimica Acta; vol. 86; nb. 1; (2003); p. 188 - 195, View in Reaxys

o-H2NC6H4COOH Shklyaev; Nifontov; Chemistry of Heterocyclic Compounds; vol. 39; nb. 2; (2003); p. 184 - 187, View in Reaxys starting to 1

Mitchell, Miguel O.; Hurley, Ashley R.; Journal of Heterocyclic Chemistry; vol. 40; nb. 3; (2003); p. 553 - 554, View in Reaxys

10f

Salah Eldin, Abdellatif M.; Heteroatom Chemistry; vol. 14; nb. 7; (2003); p. 612 - 616, View in Reaxys

ANA

Baran, Halina; Staniek; Kepplinger; Stur; Draxler; Nohl; Life Sciences; vol. 72; nb. 10; (2003); p. 1103 - 1115, View in Reaxys

12a

Valgeirsson, Jon; Nielsen, Elsebet .; Peters, Dan; Varming, Thomas; Mathiesen, Claus; Kristensen, Anders S.; Madsen, Ulf; Journal of Medicinal Chemistry; vol. 46; nb. 26; (2003); p. 5834 - 5843, View in Reaxys

3, R'=H

Palanki, Moorthy S. S.; Erdman, Paul E.; Ren, Minghuan; Suto, Mark; Bennett, Brydon L.; Manning, Anthony; Ransone, Lynn; Spooner, Cheryl; Desai, Sonal; Ow, Arnie; Totsuka, Ryuichi; Tsao, Peter; Toriumi, Wataru; Bioorganic and Medicinal Chemistry Letters; vol. 13; nb. 22; (2003); p. 4077 - 4080, View in Reaxys

anth

Rabia; Al-Gwidi; Al-Ibrahem; Polish Journal of Chemistry; vol. 77; nb. 12; (2003); p. 1747 - 1757, View in Reaxys

5d

Prakash, Om; Kaur, Harpreet; Pundeer, Rashmi; Dhillon; Singh, Shiv P.; Synthetic Communications; vol. 33; nb. 23; (2003); p. 4037 - 4042, View in Reaxys

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educt 1. to 3

Huang, Junmin; Chen, Hui; Chen, Ruyu; Heteroatom Chemistry; vol. 13; nb. 1; (2002); p. 63 - 71, View in Reaxys

2-aminophenylCO2H

Mulvihill; Gusev; Wierenga; Mathis; Shaber; MacDougall; Ajello; Martinez-Teipel; Joseph; Nguyen; Weaver; Chung; Synthesis; nb. 1; (2002); p. 53 - 58, View in Reaxys

amine to 2

Rajsekhar, Gudneppanavar; Rao, Chebrolu P.; Saarenketo, Pauli K.; Kolehmainen, Erkki; Rissanen, Kari; Carbohydrate Research; vol. 337; nb. 3; (2002); p. 187 - 194, View in Reaxys

7a-f

Barthelemy, Sophie; Schneider, Siegfried; Bannwarth, Willi; Tetrahedron Letters; vol. 43; nb. 5; (2002); p. 807 - 810, View in Reaxys

prod.,Y=2-COOH

Gowda, Shankare; Abiraj; Gowda, D.Channe; Tetrahedron Letters; vol. 43; nb. 7; (2002); p. 1329 - 1331, View in Reaxys

anthr.ac..der. X1=X2=H

El-Sharief; Ammar; Mohamed; El-Gaby; Heteroatom Chemistry; vol. 13; nb. 4; (2002); p. 291 - 298, View in Reaxys

ArNH2, R=2COOH

Bhusare, Sudhakar R.; Patil, Pratap S.; Chavan, Vishal P.; Pawar, Rajendra P.; Bhawal, Baburao M.; Vibhute, Yeshwant B.; Mendeleev Communications; vol. 12; nb. 3; (2002); p. 94 - 95, View in Reaxys

o-H2NC6H4COOH

Sedova; Shkurko; Nekhoroshev; Chemistry of Heterocyclic Compounds; vol. 38; nb. 5; (2002); p. 564 - 570, View in Reaxys

educt to 6a-c

Abu Thaher, Bassam A.; Zahra, Jalal A.; El-Abadelah, Mustafa M.; Journal of Heterocyclic Chemistry; vol. 39; nb. 5; (2002); p. 901 - 904, View in Reaxys

34

Polanski, Jaroslaw; Zouhiri, Fatima; Jeanson, Laurence; Desmaele, Didier; D'Angelo, Jean; Mouscadet, JeanFrancois; Gieleciak, Rafal; Gasteiger, Johann; Le Bret, Marc; Journal of Medicinal Chemistry; vol. 45; nb. 21; (2002); p. 4647 - 4654, View in Reaxys

2, R3=R4=R5=H

Volovenko; Resnyanskaya; Tverdokhlebov; Chemistry of Heterocyclic Compounds; vol. 38; nb. 3; (2002); p. 324 330, View in Reaxys

2f(o-COOH)

Zicane; Ravina; Tetere; Rijkure; Petrova; Kalejs; Chemistry of Heterocyclic Compounds; vol. 38; nb. 7; (2002); p. 840 - 845, View in Reaxys

A20

Zhu, Qing; Yoon, Hai-Shin; Parikh, Puja B.; Chang, Young-Tae; Yao, Shao Q.; Tetrahedron Letters; vol. 43; nb. 29; (2002); p. 5083 - 5086, View in Reaxys

2b (Tab. 1, run 2)

Kamal, Ahmed; Reddy; Reddy, D.Rajasekhar; Tetrahedron Letters; vol. 43; nb. 37; (2002); p. 6629 - 6631, View in Reaxys

table 1, entry 24

Karunakaran, Chockalingam; Kamalam, Ramasamy; Journal of the Chemical Society. Perkin Transactions 2; nb. 12; (2002); p. 2011 - 2018, View in Reaxys

starting to 3

Huang, Junmin; Chen, Ruyu; Heteroatom Chemistry; vol. 12; nb. 2; (2001); p. 97 - 101, View in Reaxys

r'

Bansal, Ekta; Srivastava; Kumar, Ashok; European Journal of Medicinal Chemistry; vol. 36; nb. 1; (2001); p. 81 - 92, View in Reaxys

aniline for 2j

Selvi; Perumal; Organic Preparations and Procedures International; vol. 33; nb. 2-3; (2001); p. 194 - 198, View in Reaxys

1j

Zhang, Qingzhi; Liu, Xinming; Zhang, Shensong; Zhang, Jinming; Journal of the Chinese Chemical Society; vol. 48; nb. 1; (2001); p. 101 - 104, View in Reaxys

H2N-ArCOOH,Ar=1,2C6H4

Zhang; Wei; Gao; Synthetic Communications; vol. 31; nb. 20; (2001); p. 3099 - 3105, View in Reaxys

Scheme 1. substrate Patel, Vijay H.; Patel, Manish P.; Patel, Ranjan G.; Heterocyclic Communications; vol. 7; nb. 6; (2001); p. 599 - 606, View in Reaxys 2, R = H

Fitzgerald, Deirdre H.; Muirhead, Karen M.; Botting, Nigel P.; Bioorganic and Medicinal Chemistry; vol. 9; nb. 4; (2001); p. 983 - 989, View in Reaxys

14

Wright; Addae-Kyereme; Breen; Brown; Cox; Croft; Goekcek; Kendrick; Phillips; Pollet; Journal of Medicinal Chemistry; vol. 44; nb. 19; (2001); p. 3187 - 3194, View in Reaxys

educt to 8

Jazwinski; Journal of Molecular Structure; vol. 524; nb. 1-3; (2000); p. 105 - 119, View in Reaxys

amine, entry 16

Pathak, Diganta; Laskar, Dhrubojyoti D.; Prajapati, Dipak; Sandhu, Jagir S.; Chemistry Letters; nb. 7; (2000); p. 816 - 817, View in Reaxys

precursor of 4

Aly, Ashraf A.; Hopf, Henning; Ernst, Ludger; European Journal of Organic Chemistry; nb. 17; (2000); p. 3021 3029, View in Reaxys

AA,II

Haddadin, Makhluf J.; Nazer, Musa Z.; Heterocycles; vol. 53; nb. 10; (2000); p. 2221 - 2224, View in Reaxys

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8R

Sarma, Jagarlapudi A.R.P.; Nagaraju, Akula; Journal of the Chemical Society. Perkin Transactions 2; nb. 6; (2000); p. 1113 - 1118, View in Reaxys

entry 7 amine

Reddy, G. Vidyasagar; Rao, G. Venkat; Iyengar; Tetrahedron Letters; vol. 40; nb. 20; (1999); p. 3937 - 3938, View in Reaxys

ANTA

Kiec-Kononowicz, Katarzyna; Holzer, Wolfgang; Mereiter, Kurt; Heterocycles; vol. 51; nb. 7; (1999); p. 1597 1608, View in Reaxys

educt to 3b

Deshpande, Anil M.; Natu, Arvind A.; Argade, Narshinha P.; Heterocycles; vol. 51; nb. 9; (1999); p. 2159 - 2162, View in Reaxys

1.start.to 1.int.,Note8

Hulme, Christopher; Cherrier; Tetrahedron Letters; vol. 40; nb. 29; (1999); p. 5295 - 5299, View in Reaxys

o-CO2H-aniline

Colas, Christophe; Goeldner, Maurice; European Journal of Organic Chemistry; nb. 6; (1999); p. 1357 - 1366, View in Reaxys

table 1, entry 25

Karunakaran; Palanisamy; International Journal of Chemical Kinetics; vol. 31; nb. 8; (1999); p. 571 - 575, View in Reaxys

Table 2., entry 12.

Nagaraja; Pasha; Tetrahedron Letters; vol. 40; nb. 44; (1999); p. 7855 - 7856, View in Reaxys

32

Bergman, Jan; Bergman, Solveig; Brimert, Thomas; Tetrahedron; vol. 55; nb. 34; (1999); p. 10447 - 10466, View in Reaxys

2-HOCOC6H4NH2 Arsen'ev; Olekhnovich; Borodkin; Glebova; Minkin; Russian Journal of Organic Chemistry; vol. 34; nb. 12; (1998); p. 1779 - 1785, View in Reaxys IIIa

Ukrainets; Taran; Sidorenko; Gorokhova; Chemistry of Heterocyclic Compounds; vol. 33; nb. 11; (1997); p. 1334 1336, View in Reaxys

OABA

Foltinova, Pavlina; Grones, Jozef; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 393; nb. 1-2; (1997); p. 1 - 6, View in Reaxys

ABA

Wong; Yuen; Water Research; vol. 30; nb. 7; (1996); p. 1736 - 1744, View in Reaxys

o-amino B.A.

Mineo, Hitoshi; Ohdate, Tatsuya; Fukumura, Kouichi; Katayama, Toyohiro; Onaga, Takenori; et al.; European Journal of Pharmacology; vol. 280; nb. 2; (1995); p. 149 - 154, View in Reaxys

2, R1=H

Neidlein, Richard; Sui, Zhihua; Kramer, Walter; Boese, Roland; Revue Roumaine de Chimie; vol. 36; nb. 4-7; (1991); p. 601 - 612, View in Reaxys

Patent-Specific Data (20) Prophetic ComLocation in Patent pound

References Patent; Hangzhou Normal University; Xu, Weiming; Chang, Yuwei; Chen, Bin; Chen, Jiabin; Zhang, Pengfei; Tang, Miaorong; (8 pag.); CN104086344; (2016); (B) Chinese, View in Reaxys

Page/Page column

Patent; Li, Mingqi; Wang, Han; Deng, Qimin; Cheng, Zuoyong; Li, Maoliang; Zeng, Yonglong; Jiang, Xue; Duan, Yuchun; Zhu, Sanping; Wen, Dezhong; US2013/211097; (2013); (A1) English, View in Reaxys; Patent; Sinochem Corporation; Shenyang Research Institute of Chemical Industry Co., Ltd.; REN, Lanhui; LIU, Changling; WANG, Lizeng; LI, Zhinian; SUN, Xufeng; LAN, Jie; WU, Qiang; CHI, Huiwei; EP2636669; (2013); (A1) English, View in Reaxys; Patent; Council of Scientific and Industrial Research; Kamal, Ahmed; Sultana, Farheen; Bharathi, Erla Vijaya; Srikanth, Yellamelli Valli Venkata; Viswanath, Arutla; Swapna, Ponnampalli; US2013/317221; (2013); (A1) English, View in Reaxys; Patent; BOEHRINGER INGELHEIM INTERNATIONAL GMBH; SMETHURST, Christian; ENGELHARDT, Harald; GIANNI, Davide; REISER, Ulrich; US2014/296230; (2014); (A1) English, View in Reaxys; Patent; Batt, Douglas G.; Bertrand, Myra Beaudoin; Delucca, George; Galella, Michael A.; Ko, Soo Sung; Langevine, Charles M.; Liu, Qingjie; Shi, Qing; Srivastava, Anurag S.; Tino, Joseph A.; Watterson, Scott Hunter; US2014/378475; (2014); (A1) English, View in Reaxys Patent; Ikerchem, S.L.; Universidad del Pais Vasco; Cossio Mora, Fernando Pedro; Vara Salazar, Yosu Ion; Masdeu Margalef, María del Carmen; Alcalà Caffarena, María Remedios; Villafruela Cáneva, Sergio; Otaegui Ansa, Dorleta; Aldaba Arévalo, Eneko; Zubia Olascoaga, Aizpea; San Sebastián Larzabal, Eider; EP2801569; (2014); (A1) English, View in Reaxys Patent; Teijin Chemicals, Ltd.; EP2505585; (2012); (A1) English, View in Reaxys Patent; XUE, LIANG; Chan, William K.; Linnet, Stan W.; Linnet, Timothy N.; US2012/322816; (2012); (A1) English, View in Reaxys

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Patent; LABORATORIOS ALMIRALL, S.A.; WO2009/21696; (2009); (A1) English, View in Reaxys Patent; AUCKLAND UNISERVICES LIMITED; WO2009/41837; (2009); (A1) English, View in Reaxys Patent; Clariant International Ltd.; EP1972624; (2008); (A1) English, View in Reaxys Patent; Mitsubishi Gas Chemical Company, Inc.; EP1997812; (2008); (A1) English, View in Reaxys Patent; SK CHEMICALS CO., LTD.; LEADGENEX INC.; INDUSTRY ACADEMIC COOPERATION FOUNDATION OF KYUNGHEE UNIVERSITY; US2008/207614; (2008); (A1) English, View in Reaxys Patent; OXENO OLEFINCHEMIE GMBH; WO2005/90276; (2005); (A1) German, View in Reaxys Patent; CONSORZIO INTERUNIVERSITARIO NAZIONALE "LA CHIMICA PER L'AMBIENTE"; US2004/127747; (2004); (A1) English, View in Reaxys Patent; Ube Industries, Ltd.; EP1466907; (2004); (A1) English, View in Reaxys Patent; SMITHKLINE BEECHAM CORPORATION; WO2004/74244; (2004); (A2) English, View in Reaxys Patent; Engelhard Corporation; US6756486; (2004); (B1) English, View in Reaxys Patent; SANKYO COMPANY, LIMITED; X-CEPTOR THERAPEUTICS, INC.; WO2003/106435; (2003); (A1) English, View in Reaxys Patent; Nihon Nohyaku Co., Ltd.; US6348460; (2002); (B1) English, View in Reaxys Patent; WARNER-LAMBERT COMPANY; EP1193261; (2002); (A1) English, View in Reaxys prophetic product

prophetic product

Patent; HOECHST CELANESE CORPORATION; EP592907; (1994); (A1) English, View in Reaxys; Patent; Ciba-Geigy AG; US3941765; (1976); (A) English, View in Reaxys; Patent; Imperial Chemical Industries Limited; US4091021; (1978); (A) English, View in Reaxys; Patent; Burlington Industries, Inc.; US4111648; (1978); (A) English, View in Reaxys; Patent; Burlington Industries, Inc.; US4171954; (1979); (A) English, View in Reaxys; Patent; Vista Chemical Company; US4540828; (1985); (A) English, View in Reaxys; Patent; Vista Chemical Company; US4568774; (1986); (A) English, View in Reaxys; Patent; Vista Chemical Company; US4593142; (1986); (A) English, View in Reaxys; Patent; Sumitomo Chemical Company, Limited; US4663440; (1987); (A) English, View in Reaxys; Patent; Schmitz, Robert A.; US6299892; (2001); (B1) English, View in Reaxys; Patent; Schering Aktiengesellschaft; US5501863; (1996); (A) English, View in Reaxys; Patent; BASF Aktiengesellschaft; US4052374; (1977); (A) English, View in Reaxys; Patent; Henkel Kommanditgesellschaft Auf Aktien; US4828568; (1989); (A) English, View in Reaxys; Patent; Hoechst Celanese Corporation; US5176750; (1993); (A) English, View in Reaxys Claim

Patent; Amersham International plc; US4451451; (1984); (A) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

1.249

H Bond Donors

2

H Bond Acceptors

3

Rotatable Bonds

1

TPSA

63.32

Lipinski Number

4

Veber Number

2

Related Structure (1) Related Structure References Identitaet von Vitamin-L&1% (sog. Lactation factor) mit Anthranilsaeure.

Nakahara et al.; Proceedings of the Imperial Academy (Tokyo); vol. 22; (1946); p. 139,141, View in Reaxys

Catalyst Investigation (1)

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1 of 1

Investigated characteristic(s)

Catalytic activity

Specification of catalysis

Regioselective catalysis

Type of reaction (Catalyst Investigation)

Cyclization

Yu, Chenguang; Huang, He; Li, Xiangmin; Zhang, Yueteng; Li, Hao; Wang, Wei; Chemistry - A European Journal; vol. 22; nb. 27; (2016); p. 9240 - 9246, View in Reaxys Derivative (85) Comment (Derivative)

Derivative

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2-carbomethoxyaniline

Gieg, Lisa M.; Otter, Albin; Fedorak, Phillip M.; Environmental Science and Technology; vol. 30; nb. 2; (1996); p. 575 - 585, View in Reaxys

sodium o-aminobenzoate

Seal, B. K.; Chatterjee, D. K.; Mandal, P. K.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 21; nb. 5; (1982); p. 509 - 511, View in Reaxys

Komplex m. Serumalbumin: Diss.Konst.

Ikeda et al.; Chemical and Pharmaceutical Bulletin; vol. 27; (1979); p. 80,84, View in Reaxys

K+-Salz: η, ΔEexcit. des viskosen Flusses (Tab.1)

Seal et al.; Journal of the Indian Chemical Society; vol. 56; (1979); p. 1196, View in Reaxys

Na+-Salz: η, ΔEexcit. des viskosen Flusses (Tab.1)

Seal et al.; Journal of the Indian Chemical Society; vol. 56; (1979); p. 1196, View in Reaxys

Li+-Salz: η, ΔE(excit.) des viskosen Flusses (Tab.1)

Seal et al.; Journal of the Indian Chemical Society; vol. 56; (1979); p. 1196, View in Reaxys

Organ. Salze mit Na u. K: Komplexierung mit 1.10Phenanthrolin: UV: η(max); H-NMR;

Poonia; Journal of the Indian Chemical Society; vol. 56; (1979); p. 22,23, View in Reaxys

Komplex (1:1) m. Coffein: Bildungskonst. (in W. b. 25grad)

Yoshida; Samejima; Yakugaku Zasshi; vol. 98; (1978); p. 537,538, View in Reaxys

Komplex (1:1) m. Theophyllin: Bildungskonst. (in W. b. 25grad)

Yoshida; Samejima; Yakugaku Zasshi; vol. 98; (1978); p. 537,538, View in Reaxys

Benzylammoniumo-aminobenzoat (12), / Z1560B12781/; B: Benzylamin, O-(oAminobenzoyl)hydroxylamin; F: 114grad; IR

/Z1560B12781/

Eddy et al.; Canadian Journal of Chemistry; vol. 56; (1978); p. 1616, View in Reaxys

Anion: Fluoreszenz, verschiedene Kationen

Wildes; White; Journal of the American Chemical Society; vol. 32; (1976); p. 2610,2616, View in Reaxys

Na-Salz: Photoelektronen-Sp., Bindungsenergie, IR

Yoshida; Sawada; Bulletin of the Chemical Society of Japan; vol. 49; (1976); p. 3319, View in Reaxys

Cs-Anthranilat: Komplex mit Isonitrosoacetophenon (Tab. 1)

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Alkali-anthranilate: Komplexe mit 8Hydroxychinolin bzw. 1-Nitroso-2naphthol (Tab. 1)

Banerjee et al.; Journal of the Indian Chemical Society; vol. 53; (1976); p. 465,466, View in Reaxys

Cu-Salz: Zers., E(A)

D'Ascenzo et al.; Thermochimica Acta; vol. 13; (1975); p. 461,464, View in Reaxys

Ni-Salz: Zers., E(A)

D'Ascenzo et al.; Thermochimica Acta; vol. 13; (1975); p. 461,464, View in Reaxys

Zn-Salz: Zers., E(A)

D'Ascenzo et al.; Thermochimica Acta; vol. 13; (1975); p. 461,464, View in Reaxys

U(OH)22+-Salz * 2 H2O, Konstit.; aus Uranylformiat, U.V., Saeure; gruen; IR

Satpathy; Patnaik; Journal of the Indian Chemical Society; vol. 52; (1975); p. 1012, View in Reaxys

Molekularkomplex, rot

Issa; El-Essawey; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 253; (1973); p. 96,98, View in Reaxys

Protonenuebertragungskomplex, gelb

Issa; El-Essawey; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 253; (1973); p. 96,98, View in Reaxys

Ladungsuebertragungskomplex m. Pikrinsaeure, IRBanden

Issa; El-Essawey; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 253; (1973); p. 96,98, View in Reaxys

Tl-Salz: F:190-195grad; η; UV

Poonia; Truter; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1972); p. 1791,1793, View in Reaxys

2-5-Benzoxyethylthiuroniumsalz: F:114grad

Singh; Boparai; Indian Journal of Applied Chemistry; vol. 34; (1971); p. 83,86, View in Reaxys

Na-Salz: IR

Inomata; Moriwaki; Nippon Kagaku Zasshi; vol. 91; (1970); p. 819,825, View in Reaxys

Komplex mit DAminosaeure-oxidase: CT-Banden

Yagi et al.; Journal of Biochemistry (Tokyo, Japan); vol. 68; (1970); p. 293,295, View in Reaxys

Kristalle aus oAminobenzoesaeure, NaPTS und H2O: IR

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GeCl4*6OAB. F:160grad. Thermogramm. Interplanare Distanzen

Belousova et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 815,792, View in Reaxys

GeCl4*4OAB. B. aus OAB in Essigsaeure + CCl4 + GeCl4. Interplanare Distanzen

Belousova et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 815,792, View in Reaxys

Na-Salz (5b)

Banerjee et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 2536,2538, View in Reaxys

Natriumsalz: P

Kleinerman; Journal of Chemical Physics; vol. 51; (1969); p. 2370,2373, View in Reaxys

Komplexbldg. mit Coffein

Moriguchi et al.; Chemical and Pharmaceutical Bulletin; vol. 17; nb. 7; (1969); p. 1339, View in Reaxys

Natrium-Salz: IRSpektrum

Dunn; McDonald; Canadian Journal of Chemistry; vol. 47; (1969); p. 4577, View in Reaxys

NH4-Salz: Additionsverb. mit NH3

Lindenberg; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 364; (1969); p. 20, View in Reaxys

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4-Hydroxy-benzol-1-sulfonsaeureSalz: F: 245grad

Zamarlik; Annales de Chimie (Cachan, France); vol. 4; nb. 14; (1969); p. 497,508, View in Reaxys

Cs-Salz (5b),(5a): Umwandlungspunkt: 125grad; elek. Leitfaehigkeit

Banerjee et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 2536,2538, View in Reaxys

K-Salz (5b),(5a): Umwandlungspunkt:135grad; elektr. Leitfaehigkeit

Banerjee et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 2536,2538, View in Reaxys

Rb-Salz (5b),(5a): Umwandlungspunkt: 130grad; elek. Leitfaehigkeit

Banerjee et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 2536,2538, View in Reaxys

K-Salz: Rk. mit 6Brom-1,2-dihydro-1-methyl-4H-3,1-benzoxyzindion-(2,4) -> N-(5-Brom-2-methylamino-benzoyl)anthranilsaeure

Doleschall,G.; Lempert,K.; Tetrahedron; vol. 25; (1969); p. 2539 - 2547, View in Reaxys

Na-Salz: Rk. mit 2Chlor-propionsaeure -> η-(2-Carboxy-anilino)-propionsaeure

Capuano,L.; Zander,M.; Justus Liebigs Annalen der Chemie; vol. 712; (1968); p. 73 - 78, View in Reaxys

Dy3+-Salz

Silber; Swinehart; Journal of Physical Chemistry; vol. 71; (1967); p. 4344,4346, View in Reaxys

Na-Salz: Rk. mit Phosphinoessigsaeure-ethoxyameisensaeureanhydrid > N-Phosphinoacetyl-anthranilsaeure

Issleib,K.; Kuemmel,R.; Chemische Berichte; vol. 100; (1967); p. 3331 - 3342, View in Reaxys

Na-Salz: IR-Sp.: 3440, 3350, 1600, 1570, 1520, 1035 cm-1

Decker; Frye; Z. Naturforsch., B: Anorg. Chem., Org. Chem., Biochem., Biophys.,; vol. 21; (1966); p. 522, View in Reaxys

Mg(II)-Komplex: IR-Sp.: 3270, 3090, 1610, 1590, 1560, 1030 cm-1

Decker; Frye; Z. Naturforsch., B: Anorg. Chem., Org. Chem., Biochem., Biophys.,; vol. 21; (1966); p. 522, View in Reaxys

Na-Salz: Bildung v. Komplexen (1:1) m. Riboflavin, Pyrazinamid, 2-Amino-, 2-Acetaminou. 2-Benzaminotropon, Cyclohepta<b>pyrrol-2(1H)on, Cycloheptimidazol-2(1H)-on u. 1-Benzyl-cycloheptimidazol-2(1H)-on in W.

Ueda; Chemical and Pharmaceutical Bulletin; vol. 14; (1966); p. 22,30, View in Reaxys

NH4-Salz: pyroelektrisch

Gavrilova; Sov. Phys. Crystallogr. (Engl. Transl.); vol. 10; (1965); p. 114,91, View in Reaxys

Verbindung mit Chloranil C7H7NO2*C6Cl4

Gore; Wheals; Analytica Chimica Acta; vol. 30; (1964); p. 34,36, View in Reaxys

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O2: η(max)(CHCl3): 515 nm o-Amino-benzoesaeure-Chloranil: Abs.-Sp. in 50percentig. A. (pH=3.6) <360-520 mμ>

Slifkin; Spectrochimica Acta; vol. 20; (1964); p. 1543,1548, View in Reaxys

K-Salz: Rk. m. Phenylisothiocyanat <A.>--> 2Thio-3-phenyl-1,2,3,4-tetrahydro-chinazolin-dion-(2,4) u. N-<2Carboxy-phenyl>N'-phenyl-thioharnstoff

Lempert; Doleschall; Monatshefte fuer Chemie; vol. 95; (1964); p. 950,958, View in Reaxys

Na-Salz

Syrneva; Dokl. Mezhvuz. Konf. Khim. Org. Kompleksn. Soedin., 2nd; (1963); p. 52,53; Chem.Abstr.; vol. 62; nb. 7672; (1965), View in Reaxys

S-Benzyl-isothiuronium-salz; IR, F: 141grad

Jart; Acta Polytechnica Scandinavica, Chemistry Including Metallurgy Series; vol. 24; (1963); p. 1,19,104, View in Reaxys

Hydrochlorid: Rk. m. 4-Chlor-1-<2thiocyanato-propionyl>-benzol --> 5-Oxo-2-methyl-1<4-chlor-phenyl>-5H-thiazolo<3.2-a>chinazolin; analoge Rkk.

DHAMI; ARORA; NARANG; Journal of medicinal chemistry; vol. 6; (1963); p. 450 - 452, View in Reaxys

Hydrogensulfat <C7H8NO2><HSO 4>: F:189grad

Davis; Mann; Journal of the Chemical Society; (1962); p. 945,953, View in Reaxys

Molekuelverb. m. 1/2 Mol η-Hexachlor-cyclohexan: F:113.5grad(aus wss. Me.)

Patent; Praeger; Fuerst; DD20338; Chem.Abstr.; vol. 56; nb. 355; (1962), View in Reaxys

Rk. des Diazoniumsalzes m. 1.) Ferrocen (10h, Raumtemp.,Eg.) --> oFerrocenyl-benzoesaeure 2.)C2O2Cl2 (in CH2Cl2) --> oFerrocenyl-benzoesaeurechlorid 3.) AlCl3 (in CH2Cl2) --> 2,3-Ferrocoindenon

Bublitz et al.; Journal of the American Chemical Society; vol. 84; (1962); p. 1845,1846, View in Reaxys

Salz m. Benzylamin B:; F

Cheeseman; Poller; Analyst (Cambridge, United Kingdom); vol. 86; (1961); p. 256; Chem.Abstr.; vol. 55; nb. 25720; (1961), View in Reaxys

Charakterisierung als BenzylaminSalz

Cheeseman; Poller; Analyst (Cambridge, United Kingdom); vol. 86; (1961); p. 256; Chem.Abstr.; vol. 55; nb. 25720; (1961), View in Reaxys

<W(C7H7NO2)2> Cl6: braun; feuchtigkeitsempfindlich

Prasad; Krishnaiah; Journal of the Indian Chemical Society; vol. 38; (1961); p. 177, View in Reaxys

N-Acetyl-anthranilsaeure: B: Anthra-

Klosa; Journal fuer Praktische Chemie (Leipzig); vol. 14; (1961); p. 84, View in Reaxys

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nilsaeure, Acetanhydrid Na-Salz: Rk. m. 99percentig.D2O (Glasbombe; Pt; N2; 140grad; 24h) --> Anthranilsaeure mit 39,5percent Deuteriumgehalt

Plieninger,H. et al.; Justus Liebigs Annalen der Chemie; vol. 642; (1961); p. 214 - 224, View in Reaxys

N-<3,5-Dinitro-pyridyl-(2)>-Derivat F:239grad

Talik; Plazek; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 8; (1960); p. 219,220, View in Reaxys

K-Salz: UV-Max.; IR-Abs.

Hill; Curran; Journal of Physical Chemistry; vol. 64; (1960); p. 1519,1521, View in Reaxys

Ba-Salz: UV-Max.; IR-Abs.

Hill; Curran; Journal of Physical Chemistry; vol. 64; (1960); p. 1519,1521, View in Reaxys

Ca-Salz: UV-Max.; IR-Abs.

Hill; Curran; Journal of Physical Chemistry; vol. 64; (1960); p. 1519,1521, View in Reaxys

Na-Salz: UV-Max.; IR-Abs.

Hill; Curran; Journal of Physical Chemistry; vol. 64; (1960); p. 1519,1521, View in Reaxys

Sr-Salz: UV-Max.; IR-Abs.

Hill; Curran; Journal of Physical Chemistry; vol. 64; (1960); p. 1519,1521, View in Reaxys

Hydrochlorid: UVMax.; IR-Abs.

Hill; Curran; Journal of Physical Chemistry; vol. 64; (1960); p. 1519,1521, View in Reaxys

Zn-Salz: Loeslichkeit in W. (25grad)

Lumme; Suomen Kemistilehti B; vol. 33; (1960); p. 69, View in Reaxys

Pb(II)-Salz: Loeslichkeit in W. (25grad)

Lumme; Suomen Kemistilehti B; vol. 33; (1960); p. 69, View in Reaxys

Mg-Komplex Mg(C7H6NO2)2: UV-Max.; IR-Abs.

Hill; Curran; Journal of Physical Chemistry; vol. 64; (1960); p. 1519,1521, View in Reaxys

Molekuelverb. m. 1/2 Mol Naphthol-(2) F:97.8grad schwarz

Charitonowa; Izvestiya Akademii Nauk Kirgizskoi SSR; vol. 2; nb. 5; (1960); p. 39,40-48; Chem.Abstr.; nb. 25879; (1961), View in Reaxys

N-<4-chloro-benzoylthiocarbamoyl>-anthranilic acid (mp: 275-277 degree )

Tisler; Zeitschrift fuer Analytische Chemie; vol. 165; (1959); p. 272, View in Reaxys

benzene-biphenyl chromium (I)-salt; Further Data see Handbook

Hein et al.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 289; (1957); p. 229,237, View in Reaxys

bis-<1-aminomethyl-cyclohexylamine>-nickel-salt; Further Data see Handbook (Magnetic susceptibility)

Hein; Schade; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 289; (1957); p. 90,95, 99, View in Reaxys

brucine salt (<alpha>=-43.6 degree ; <alpha>=-32.7 degree ; <alpha>=-84.5 degree ; <alpha>=-12.9 degree ); Further Data

Manhas; Banerjee; Pr. nation Acad. India; vol. 26A; (1957); p. 285,289, View in Reaxys

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see Handbook (ORD)

N-<3-nitro-phenylcarbamoyl>-anthranilic acid (mp: 207 degree )

Karrman; Svensk Kemisk Tidskrift; vol. 60; (1948); p. 61; Chem.Abstr.; (1948); p. 5804, View in Reaxys

(1S)-2-oxo-bornane-10-sulfonate (mp: 154-156 degree ; <alpha>=15.5 degree ; <alpha>=24 degree ); Further Data see Handbook (Optical anisotropy)

Singh; Manhas; Proceedings - Indian Academy of Sciences, Section A; vol. <A> 27; (1948); p. 1,12, View in Reaxys

(1R)-2-oxo-bornane-10-sulfonate (mp: 154-156 degree ; <alpha>=-15.5 degree ; <alpha>=-24.5 degree ); Further Data see Handbook (Mutarotation, ORD)

Singh; Manhas; Proceedings - Indian Academy of Sciences, Section A; vol. <A> 27; (1948); p. 1,12, View in Reaxys

N-<3,5-dinitro-benzoyl>-anthranilic acid (mp: 279-280 degree )

Saunders; Journal of the Chemical Society; (1938); p. 1400, View in Reaxys

barium salt; Further Data see Handbook (Density)

Strassmann; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <B> 26; (1934); p. 362,368, View in Reaxys

N-<4-bromo-phenacyl>-anthranilic acid-<4-bromophenacyl ester> (mp: 172 degree )

Kelly; Howard; Journal of the American Chemical Society; vol. 54; (1932); p. 4383, View in Reaxys

ammonium salt; Further Data see Handbook (Density)

Klemm; Klemm; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <A> 151; (1930); p. 71,78, View in Reaxys

lead-salt; Further Data see Handbook (Chemical Behaviour)

Anschuetz; Boedeker; Chemische Berichte; vol. 62; (1929); p. 828, View in Reaxys

silver-salt; Further Data see Handbook (Chemical Behaviour)

Anschuetz; Boedeker; Chemische Berichte; vol. 62; (1929); p. 828, View in Reaxys

calcium salt; Further Data see Handbook (Chemical Behaviour)

Koller; Krakauer; Monatshefte fuer Chemie; vol. 50; (1928); p. 52, View in Reaxys

sodium salt; Further Data see Handbook (Chemical Behaviour)

Paal; Chemische Berichte; vol. 27; (1894); p. 976, View in Reaxys; Patent; Bad. Anilin- u. Sodaf.; DE142559, View in Reaxys; Mumm; Hesse; Chemische Berichte; vol. 43; (1910); p. 2509, View in Reaxys; Mc Coy; Chemische Berichte; vol. 30; (1897); p. 1688; American Chemical Journal; vol. 21; (1899); p. 146, View in Reaxys

Melting Point (46) 1 of 46

Melting Point [°C]

144 - 146

Location

Paragraph 0068

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Patent; National Chi Nan University; Chen, Heru; Wang, Rikang; Zhou, Jiaqiang; Zhang, Lei; (19 pag.); CN106565675; (2017); (A) Chinese, View in Reaxys 2 of 46

Melting Point [°C]

144 - 146

Location

Paragraph 0088

Patent; Jinan University; Chen Heru; Zhang Lei; Zhang Chao; (20 pag.); CN107522691; (2017); (A) Chinese, View in Reaxys 3 of 46

Melting Point [°C]

144 - 146

Location

Paragraph 0040

Patent; Xuzhou Medical University; Liu, Yi; Ding, Yan; Luo, Xuan; Guo, Anlei; Hua, Yuzhou; Liu, Li; Huang, Jie; Fang, Tongyong; (15 pag.); CN106243035; (2016); (A) Chinese, View in Reaxys 4 of 46

Melting Point [°C]

136 - 140

Location

Paragraph 0024

Patent; Ocean University of China; Jiang, Tao; Yin, ruijuan; Zhang, Li Juan; (38 pag.); CN103497211; (2016); (B) Chinese, View in Reaxys 5 of 46

Melting Point [°C]

148.6

Solvent (Melting Point)

acetonitrile

Bag, Partha Pratim; Reddy, C. Malla; Crystal Growth and Design; vol. 12; nb. 6; (2012); p. 2740 - 2743, View in Reaxys 6 of 46

Melting Point [°C]

149

Solvent (Melting Point)

water

Bag, Partha Pratim; Reddy, C. Malla; Crystal Growth and Design; vol. 12; nb. 6; (2012); p. 2740 - 2743, View in Reaxys 7 of 46

Melting Point [°C]

145

Karthikeyan; Jagadeesh, Rajenahally V.; Sree Sandhya; Puttaswamy; Nithya; Kumar, S. Senthil; Bhagat; Applied Organometallic Chemistry; vol. 25; nb. 1; (2011); p. 34 - 46, View in Reaxys 8 of 46

Melting Point [°C]

108

Krishnamurthy; Synthesis and Reactivity in Inorganic, Metal-Organic and Nano-Metal Chemistry; vol. 41; nb. 6; (2011); p. 590 - 597, View in Reaxys 9 of 46

Melting Point [°C]

161

Sinha, Girish Kumar; Pandey, Bibhishan; Sinha, Alka; Oriental Journal of Chemistry; vol. 26; nb. 4; (2010); p. 1401 - 1406, View in Reaxys 10 of 46

Melting Point [°C]

174 - 178

Patent; Gruenenthal GmbH; US2008/293749; (2008); (A1) English, View in Reaxys 11 of 46

Melting Point [°C]

147

Martin et al.; Journal of Pharmaceutical Sciences; vol. 68; (1979); p. 565,566, View in Reaxys; Pasha; Nanjundaswamy; Journal of Chemical Research; nb. 11; (2004); p. 750 - 752, View in Reaxys 12 of 46

Melting Point [°C]

143 - 145

Suter,P.J.; Turner,W.B.; Journal of the Chemical Society [Section] C: Organic; (1967); p. 2240 - 2242, View in Reaxys; Murray; Vaugham; Journal of the Chemical Society [Section] C: Organic; (1970); p. 2070,2073, View in Reaxys; Patent; Usida Tsunedzo et al.; JP2980; (1969), View in Reaxys; Pasha; Jayashankara; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 43; nb. 11; (2004); p. 2464 - 2466, View in Reaxys 13 of 46

Melting Point [°C]

132 - 140

Yang, Shu-Wei; Cordell, Geoffrey A.; Journal of Natural Products; vol. 60; nb. 1; (1997); p. 44 - 48, View in Reaxys 14 of 46

Melting Point [°C]

144 - 148

Gohain, Sujata; Prajapati, Dipak; Sandhu, Jagir S.; Chemistry Letters; nb. 8; (1995); p. 725 - 726, View in Reaxys 15 of 46

Melting Point [°C]

146

Guilbaud-Criqui, A.; Moinet, C.; Bulletin de la Societe Chimique de France; vol. 130; nb. 2; (1993); p. 164 - 172, View in Reaxys; Roy, Shyamali; Chakraborty, A. K.; Chakraborty, D. P.; Journal of the Indian Chemical Society; vol. 58; (1981); p. 992 - 993, View in Reaxys; Chakraborty; Roy; Rakshit; Journal of the Indian Chemical Society; vol. 66; nb. 8-10; (1989); p. 699 - 702, View in Reaxys

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16 of 46

Melting Point [°C]

147 - 148

Solvent (Melting Point)

H2O

Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys 17 of 46

Melting Point [°C]

147 - 148

Comment (Melting Point)

with Sublimation. Method: from melt

Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys 18 of 46

Melting Point [°C]

144

Urseanu et al.; Revue Roumaine de Chimie; vol. 20; (1975); p. 107,108-112, View in Reaxys; Chakraborty, D. P.; Mandal, Anchal Kanti; Roy, Swapan Kumar; Synthesis; nb. 12; (1981); p. 977 - 979, View in Reaxys 19 of 46

Melting Point [°C]

142 - 144

Solvent (Melting Point)

hexane

Arai, Kunizo; Shimizu, Sakae; Taguchi, Yasuhisa; Yamamoto, Yuzuru; Chemical & Pharmaceutical Bulletin; vol. 29; nb. 4; (1981); p. 991 - 999, View in Reaxys; Arai; Masuda; Kiriyama; et al.; Chemical and Pharmaceutical Bulletin; vol. 29; nb. 4; (1981); p. 961 - 969, View in Reaxys 20 of 46

Melting Point [°C]

142

Solvent (Melting Point)

benzene

Sekita; Yoshihira; Natori; Chemical and Pharmaceutical Bulletin; vol. 28; nb. 8; (1980); p. 2428 - 2435, View in Reaxys 21 of 46

Melting Point [°C]

145

Kofler,L. u. A.; Thermo-Mikro-Methoden, 3. Aufl. <Weinheim 1954> S. 485, View in Reaxys; Dutt; Journal of the Indian Chemical Society; vol. 7; (1930); p. 505,508, View in Reaxys; Hayduck; Justus Liebigs Annalen der Chemie; vol. 172; (1874); p. 217; Justus Liebigs Annalen der Chemie; vol. 174; (1874); p. 352, View in Reaxys; Patent; BASF; FR2232534; (1974); DE2400111; Chem.Abstr.; vol. 81; nb. 192884, View in Reaxys; Hazard; Tallec; Bulletin de la Societe Chimique de France; (1976); p. 433,437, View in Reaxys; Ayres; Gopalan; Journal of the Chemical Society, Perkin Transactions 1: Organic and BioOrganic Chemistry (1972-1999); (1978); p. 588, View in Reaxys; Arama et al.; Journal of Luminescence; vol. 5; (1972); p. 439,441,444, View in Reaxys 22 of 46

Melting Point [°C]

20

Solvent (Melting Point)

benzene

Boone et al.; Acta Crystallographica; vol. <B> 33; (1977); p. 3205, View in Reaxys 23 of 46

Melting Point [°C]

145.7

Haleem; Hakeem; Journal of the Indian Chemical Society; vol. 54; (1977); p. 521, View in Reaxys 24 of 46

Melting Point [°C]

144 - 145

Doleschall; Lempert; Monatshefte fuer Chemie; vol. 95; (1964); p. 1083,1087, View in Reaxys; Nagahara et al.; Chemical and Pharmaceutical Bulletin; vol. 24; (1976); p. 1197,1198-1200, View in Reaxys 25 of 46

Melting Point [°C]

146 - 147

Buechi,J. et al.; Arzneimittel Forschung; vol. 25; (1975); p. 14 - 24, View in Reaxys; Bouchet et al.; Synthetic Communications; vol. 4; (1974); p. 57, View in Reaxys 26 of 46

Solvent (Melting Point)

ethanol

Comment (Melting Point)

Modifikation I.

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,135, View in Reaxys 27 of 46

Solvent (Melting Point)

H2O (pH<5.2)

Comment (Melting Point)

Modifikation I.

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,135, View in Reaxys 28 of 46

Solvent (Melting Point)

ethanol

Comment (Melting Point)

bei langsamem Abkuehlen; Modifikation II.

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,134, 135, 140, View in Reaxys

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29 of 46

Solvent (Melting Point)

benzene

Comment (Melting Point)

bei langsamem Abkuehlen; Modifikation II.

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,134, 135, 140, View in Reaxys 30 of 46

Comment (Melting Point)

aus der Schmelze; Modifikation III.

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,137, 140, View in Reaxys 31 of 46

Melting Point [°C]

145.55

Comment (Melting Point)

Modifikation III.

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,135, 137, View in Reaxys 32 of 46

Melting Point [°C]

146.55 - 146.85

Comment (Melting Point)

Modifikation II.

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,135, 137, View in Reaxys 33 of 46

Melting Point [°C]

144.85

Arnold; Jones; Molecular Crystals; vol. 19; (1972); p. 133,135,136,138,140, View in Reaxys 34 of 46

Melting Point [°C]

144 - 146

Poonia; Truter; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1972); p. 1791,1793, View in Reaxys 35 of 46

Melting Point [°C]

142 - 144

Bakke et al.; Acta Chemica Scandinavica (1947-1973); vol. 26; (1972); p. 355,361, View in Reaxys 36 of 46

Melting Point [°C]

146.5 - 147

Cohen; Gray; Journal of Organic Chemistry; vol. 37; (1972); p. 741, View in Reaxys 37 of 46

Melting Point [°C]

146 - 147.5

Obolenzew et al.; Neftekhimiya; vol. 11; (1971); p. 893,256; Chem.Abstr.; nb. 46754; (1969), View in Reaxys 38 of 46

Solvent (Melting Point)

ethanol

Haushofer; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie; vol. 1; (1877); p. 503; Justus Liebigs Annalen der Chemie; vol. 193; (1878); p. 220, View in Reaxys; Negri; Gazzetta Chimica Italiana; vol. 26 I; (1896); p. 64, View in Reaxys; P.Groth, Chemische Krystallographie 4.Teil <Leipzig 1917> S. 508, View in Reaxys; Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys 39 of 46

Solvent (Melting Point)

acetic acid

Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys 40 of 46

Melting Point [°C]

145

Solvent (Melting Point)

H2O; diethyl ether

Lillford; Satchell; Journal of the Chemical Society [Section] B: Physical Organic; (1968); p. 54, View in Reaxys 41 of 46

Melting Point [°C]

145 - 146

LACH; CHIN; Journal of pharmaceutical sciences; vol. 53; (1964); p. 69 - 73, View in Reaxys 42 of 46

Melting Point [°C]

146.5

Sekiguchi et al.; Chemical and Pharmaceutical Bulletin; vol. 11; (1963); p. 1108,1111, View in Reaxys 43 of 46

Melting Point [°C]

148

Solvent (Melting Point)

H2O

Herz; Wittek; Monatshefte fuer Chemie; vol. 74; (1943); p. 271,274, 275, View in Reaxys 44 of 46

Melting Point [°C]

146.1

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 45 of 46

Melting Point [°C]

144.6

Flaschner; Rankin; Monatshefte fuer Chemie; vol. 31; (1910); p. 43, View in Reaxys

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46 of 46

Melting Point [°C]

144.1 - 144.3

Lunden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 561, View in Reaxys Sublimation (1) Sublimation [°C] 99.85

Pressure (Sublimation) [Torr]

References

0.1

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,134, 135, 140, View in Reaxys

Refractive Index (1) Refractive Index Wavelength (ReTemperature (Refractive Index) [nm] fractive Index) [°C] 1.578

589

144

References Frediani; Industrial and Engineering Chemistry, Analytical Edition; vol. 14; (1942); p. 440, View in Reaxys

Density (9) 1 of 9

Density [g·cm-3]

1.362

Comment (Density)

Modifikation II.

Boone et al.; Acta Crystallographica; vol. <B> 33; (1977); p. 3205, View in Reaxys 2 of 9

Density [g·cm-3]

1.362

Boone et al.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry; vol. 33; (1977); p. 3205, View in Reaxys 3 of 9

Density [g·cm-3]

1.405

Comment (Density)

Modifikation I.

Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys 4 of 9

Density [g·cm-3]

1.367

Comment (Density)

Modifikation II.

Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys 5 of 9

Density [g·cm-3]

1.41

Comment (Density)

Modifikation I.

Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys 6 of 9

Density [g·cm-3]

1.36

Comment (Density)

Modifikation II.

Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys 7 of 9

Density [g·cm-3]

1.4

Comment (Density)

Modifikation III.

Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys 8 of 9

Density [g·cm-3]

1.352

Reference Temperature [°C]

4

Measurement Temperature 25 [°C] Klemm; Klemm; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <A> 151; (1930); p. 71,78, View in Reaxys 9 of 9

Density [g·cm-3]

1.412

Comment (Density)

1. Modifikation (aus H 310 i); geht in die 2. Modifikation ueber.

Steinmetz; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie; vol. 53; (1914); p. 468; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie; vol. 54; (1915); p. 492, View in Reaxys Adsorption (MCS) (20)

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1 of 20

Description (Adsorption (MCS))

Adsorption and desorption isotherms

Solvent (Adsorption (MCS))

H2O

Partner (Adsorption (MCS))

P-709 Sibunit

Morgun; Khabalov; Russian Journal of Physical Chemistry A; vol. 78; nb. 5; (2004); p. 786 - 789, View in Reaxys 2 of 20

Description (Adsorption (MCS))

Adsorption and desorption isotherms

Solvent (Adsorption (MCS))

H2O

Partner (Adsorption (MCS))

A-4 adsorbent

Morgun; Khabalov; Russian Journal of Physical Chemistry A; vol. 78; nb. 5; (2004); p. 786 - 789, View in Reaxys 3 of 20

Description (Adsorption (MCS))

Adsorption and desorption isotherms

Solvent (Adsorption (MCS))

H2O

Partner (Adsorption (MCS))

A-6 adsorbent

Morgun; Khabalov; Russian Journal of Physical Chemistry A; vol. 78; nb. 5; (2004); p. 786 - 789, View in Reaxys 4 of 20

Description (Adsorption (MCS))

Adsorption isotherm

Solvent (Adsorption (MCS))

aq. HCl

Temperature (Adsorption (MCS)) [°C]

36.85

Partner (Adsorption (MCS))

medicinal charcoal

Sobczak, Halina; Pawlaczyk, Jan; Acta Poloniae Pharmaceutica - Drug Research; vol. 55; nb. 4; (1998); p. 279 - 283, View in Reaxys 5 of 20

Description (Adsorption (MCS))

Chemisorption

Solvent (Adsorption (MCS))

aq. H2SO4

Temperature (Adsorption (MCS)) [°C]

60

Partner (Adsorption (MCS))

polymethylene urea

Kondratov, S. A.; Kozlovskii, V. V.; Zamashchikov, V. V.; Maslosh, V. Z.; Russian Journal of Applied Chemistry; vol. 68; nb. 4.2; (1995); p. 598 - 601; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 68; nb. 4; (1995); p. 684 - 687, View in Reaxys 6 of 20

Description (Adsorption (MCS))

Desorption

Solvent (Adsorption (MCS))

various solvent(s)

Temperature (Adsorption (MCS)) [°C]

35

Partner (Adsorption (MCS))

zirconium oxide

Blackwell; Carr; Analytical chemistry; vol. 64; nb. 8; (1992); p. 853 - 862, View in Reaxys

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7 of 20

Description (Adsorption (MCS))

Adsorption isotherm

Partner (Adsorption (MCS))

Porolas T (a styrene-divinylbenzene copolymer)

Podlesnyuk, V. V.; Marutovskii, R. M.; Fridman, L. E.; Russian Journal of Physical Chemistry; vol. 66; nb. 12; (1992); p. 1478 - 1480; Zhurnal Fizicheskoi Khimii; vol. 66; (1992); p. 2775 - 2778, View in Reaxys 8 of 20

Description (Adsorption (MCS))

Chemisorption

Temperature (Adsorption (MCS)) [°C]

150

Partner (Adsorption (MCS))

η-aminopropylaerosil

Basyuk, V. A.; Khil'chevskaya, E. G.; Chuiko, A. A.; Journal of Applied Spectroscopy; vol. 54; nb. 3; (1991); p. 280 - 287; Zhurnal Prikladnoi Spektroskopii; vol. 54; nb. 3; (1991); p. 449 - 457, View in Reaxys 9 of 20

Description (Adsorption (MCS))

Chemisorption

Temperature (Adsorption (MCS)) [°C]

150

Partner (Adsorption (MCS))

dehydrated aerosil

Basyuk, V. A.; Khil'chevskaya, E. G.; Chuiko, A. A.; Journal of Applied Spectroscopy; vol. 54; nb. 3; (1991); p. 280 - 287; Zhurnal Prikladnoi Spektroskopii; vol. 54; nb. 3; (1991); p. 449 - 457, View in Reaxys 10 of 20

Description (Adsorption (MCS))

Further physical properties of the adsorbed molecule

Partner (Adsorption (MCS))

η-Fe2O3

Kuprin, V. P.; Shcherbakov, A. B.; Russian Journal of Physical Chemistry; vol. 64; nb. 5; (1990); p. 703 - 707; Zhurnal Fizicheskoi Khimii; vol. 64; (1990); p. 1324 - 1329, View in Reaxys 11 of 20

Description (Adsorption (MCS))

Adsorption

Solvent (Adsorption (MCS))

H2O

Partner (Adsorption (MCS))

DG-100 carbon black

Khabalov, V. V.; Morgun, N. P.; Glushchenko, V. Yu.; Voit, A. V.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 37; (1988); p. 1527 - 1528; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 8; (1988); p. 1716 - 1718, View in Reaxys 12 of 20

Description (Adsorption (MCS))

Further physical properties of the adsorbed molecule

Solvent (Adsorption (MCS))

H2O

Partner (Adsorption (MCS))

Ag

Suh, J. S.; Moskovits, M.; Journal of the American Chemical Society; vol. 108; nb. 16; (1986); p. 4711 - 4718, View in Reaxys 13 of 20

Description (Adsorption (MCS))

Further physical properties of the adsorbed molecule

Temperature (Adsorption (MCS)) [°C]

-269

Partner (Adsorption (MCS))

AlOx

Monjushiro; Murata; Ikeda; Bulletin of the Chemical Society of Japan; vol. 57; nb. 9; (1984); p. 2428 - 2434, View in Reaxys 14 of 20

Description (Adsorption (MCS))

Adsorption

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Umeyama et al.; Chemical and Pharmaceutical Bulletin; vol. 19; (1971); p. 412,413-417, View in Reaxys; Penttinen; Lindberg; Suomen Kemistilehti B; vol. 41; (1968); p. 128, View in Reaxys 15 of 20

Description (Adsorption (MCS))

Adsorption isotherm

Partner (Adsorption (MCS))

water

Skorochod et al.; Uc. Zap. Belorussk. Univ.; nb. 42; (1958); p. 159,162, 164, 165, 171; Chem.Abstr.; (1960); p. 5207, View in Reaxys; Skorochod et al.; Uc. Zap. Belorussk. Univ.; nb. 29; (1956); p. 121,123, 127, 130; Chem.Abstr.; (1959); p. 21038, View in Reaxys 16 of 20

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

ZrO2*xH2O

Chakravarty, S. N.; Sen, K. C.; Z. Anorg. Chem.; vol. 186; (1930); p. 357 - 364, View in Reaxys; vol. Zr: MVol.; 93, page 252 - 255 ; (from Gmelin), View in Reaxys 17 of 20

Description (Adsorption (MCS))

Adsorption

Solvent (Adsorption (MCS))

H2O

Partner (Adsorption (MCS))

charcoal

Schilow; Nekrassow; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 130; (1927); p. 70; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 60; (1928); p. 110, View in Reaxys; Schilow; Nekrassow; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 60; (1928); p. 108, View in Reaxys 18 of 20

Description (Adsorption (MCS))

Adsorption

Solvent (Adsorption (MCS))

ethanol

Partner (Adsorption (MCS))

charcoal

Griffin; Richardson; Robertson; Journal of the Chemical Society; (1928); p. 2708, View in Reaxys 19 of 20

Description (Adsorption (MCS))

Adsorption

Solvent (Adsorption (MCS))

H2O

Partner (Adsorption (MCS))

iron (III)-hydroxide

Sen; Journal of Physical Chemistry; vol. 31; (1927); p. 526, View in Reaxys 20 of 20

Description (Adsorption (MCS))

Adsorption

Solvent (Adsorption (MCS))

H2O

Partner (Adsorption (MCS))

active sugar-coal

Bartell; Miller; Journal of the American Chemical Society; vol. 45; (1923); p. 1109, View in Reaxys Association (MCS) (51) 1 of 51

Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

water-d2

Temperature (Association (MCS)) [°C]

24.84

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Partner (Association (MCS))

η-cyclodextrin

Chaudhari, Sachin R.; Srinivasa; Suryaprakash; Journal of Molecular Structure; vol. 1033; (2013); p. 75 - 78, View in Reaxys 2 of 51

Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

water-d2

Temperature (Association (MCS)) [°C]

24.84

Partner (Association (MCS))

alpha cyclodextrin

Chaudhari, Sachin R.; Srinivasa; Suryaprakash; Journal of Molecular Structure; vol. 1033; (2013); p. 75 - 78, View in Reaxys 3 of 51

Description (Association (MCS))

UV/VIS spectrum of the complex

Solvent (Association (MCS))

H2O

Partner (Association (MCS))

S-III adsorbent

Morgun; Khabalov; Russian Journal of Physical Chemistry A; vol. 78; nb. 5; (2004); p. 786 - 789, View in Reaxys 4 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

ethanol; H2O

Temperature (Association (MCS)) [°C]

24.85

Comment (Association (MCS))

in the presence of inorganic compounds

Partner (Association (MCS))

Cu(NO3)2

Rabia; Al-Gwidi; Al-Ibrahem; Polish Journal of Chemistry; vol. 77; nb. 12; (2003); p. 1747 - 1757, View in Reaxys 5 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

ethanol; H2O

Temperature (Association (MCS)) [°C]

24.85

Comment (Association (MCS))

in the presence of inorganic compounds

Partner (Association (MCS))

2,3-dicarboxypyrazine

Rabia; Al-Gwidi; Al-Ibrahem; Polish Journal of Chemistry; vol. 77; nb. 12; (2003); p. 1747 - 1757, View in Reaxys 6 of 51

Description (Association (MCS))

UV/VIS spectrum of the complex

Solvent (Association (MCS))

CHCl3

Temperature (Association (MCS)) [°C]

24.85

Partner (Association (MCS))

chloranil

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Majumdar, Kamalkrishna; Majumder; Lahiri; Journal of the Indian Chemical Society; vol. 79; nb. 10; (2002); p. 811 - 814, View in Reaxys 7 of 51

Description (Association (MCS))

UV/VIS spectrum of the complex

Solvent (Association (MCS))

benzene

Temperature (Association (MCS)) [°C]

24.85

Partner (Association (MCS))

chloranil

Majumdar, Kamalkrishna; Majumder; Lahiri; Journal of the Indian Chemical Society; vol. 79; nb. 10; (2002); p. 811 - 814, View in Reaxys 8 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

CHCl3

Temperature (Association (MCS)) [°C]

24.85

Partner (Association (MCS))

chloranil

Majumdar, Kamalkrishna; Majumder; Lahiri; Journal of the Indian Chemical Society; vol. 79; nb. 10; (2002); p. 811 - 814, View in Reaxys 9 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Partner (Association (MCS))

<Cp*Rh(2'-deoxyadenosine)>3(OTf)3

Bakhtiar, Ray; Chen, Hong; Ogo, Seiji; Fish, Richard H.; Chemical Communications; nb. 22; (1997); p. 2135 - 2136, View in Reaxys 10 of 51

Description (Association (MCS))

Further physical properties of the complex

Solvent (Association (MCS))

H2O

Partner (Association (MCS))

<Cp*Rh(2'-deoxyadenosine)>3(OTf)3

Bakhtiar, Ray; Chen, Hong; Ogo, Seiji; Fish, Richard H.; Chemical Communications; nb. 22; (1997); p. 2135 - 2136, View in Reaxys 11 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

ethanol; H2O

Temperature (Association (MCS)) [°C]

30 - 50

Comment (Association (MCS))

Ratio of solvents: 1:1

Partner (Association (MCS))

butane-2,3-dione mono-oxime

Hankare, P. P.; Chavan, M. B.; Manikshete, A. H.; Rampure, R. S.; Deshmukh, L. P.; Journal of the Indian Chemical Society; vol. 70; nb. 1; (1993); p. 70 - 71, View in Reaxys 12 of 51

Description (Association (MCS))

Stability constant of the complex with ...

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Solvent (Association (MCS))

CHCl3

Temperature (Association (MCS)) [°C]

-0.1 - 44.9

Partner (Association (MCS))

C59H61N4O3Rh

Aoyama, Yasuhiro; Asakawa, Masumi; Yamagishi, Atsushi; Toi, Hiroo; Ogoshi, Hisanobu; Journal of the American Chemical Society; vol. 112; nb. 8; (1990); p. 3145 - 3151, View in Reaxys 13 of 51

Description (Association (MCS))

Further physical properties of the complex

Solvent (Association (MCS))

CHCl3

Partner (Association (MCS))

C59H61N4O3Rh

Aoyama, Yasuhiro; Asakawa, Masumi; Yamagishi, Atsushi; Toi, Hiroo; Ogoshi, Hisanobu; Journal of the American Chemical Society; vol. 112; nb. 8; (1990); p. 3145 - 3151, View in Reaxys 14 of 51

Description (Association (MCS))

IR spectrum of the complex

Partner (Association (MCS))

p-benzoquinone

Bassi, P. S.; Chander, Keshav; Indian Journal of Chemistry, Section A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical Chemistry; vol. 29; nb. 5; (1990); p. 458 - 460, View in Reaxys 15 of 51

Description (Association (MCS))

UV/VIS spectrum of the complex

Partner (Association (MCS))

p-benzoquinone

Bassi, P. S.; Chander, Keshav; Indian Journal of Chemistry, Section A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical Chemistry; vol. 29; nb. 5; (1990); p. 458 - 460, View in Reaxys 16 of 51

Description (Association (MCS))

Further physical properties of the complex

Partner (Association (MCS))

p-benzoquinone

Bassi, P. S.; Chander, Keshav; Indian Journal of Chemistry, Section A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical Chemistry; vol. 29; nb. 5; (1990); p. 458 - 460, View in Reaxys 17 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O; various solvent(s)

Temperature (Association (MCS)) [°C]

23.5

Partner (Association (MCS))

η-cyclodextrin

Hinze, Willie L.; Pharr, Daniel Y.; Fu, Zheng Sheng; Burkert, Walter G.; Analytical Chemistry; vol. 61; nb. 5; (1989); p. 422 - 428, View in Reaxys 18 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

lanthanum(III) oxide

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Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 19 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

praseodymium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 20 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

neodymium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 21 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

samarium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 22 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

europium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 23 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

gadolinium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys

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24 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

terbium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 25 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

disprosium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 26 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

holmium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 27 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

erbium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 28 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

thulium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 29 of 51

Description (Association (MCS))

Stability constant of the complex with ...

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Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

ytterbium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 30 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

lutetium(III) oxide

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 31 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

cyclohexane

Temperature (Association (MCS)) [°C]

26.9

Partner (Association (MCS))

2-Hydroxy-5-methylisophthalaldehyde

Mukherjee, Samaresh; Bulletin of the Chemical Society of Japan; vol. 60; nb. 3; (1987); p. 1119 - 1124, View in Reaxys 32 of 51

Description (Association (MCS))

UV/VIS spectrum of the complex

Solvent (Association (MCS))

cyclohexane

Temperature (Association (MCS)) [°C]

26.9

Partner (Association (MCS))

2-Hydroxy-5-methylisophthalaldehyde

Mukherjee, Samaresh; Bulletin of the Chemical Society of Japan; vol. 60; nb. 3; (1987); p. 1119 - 1124, View in Reaxys 33 of 51

Description (Association (MCS))

Further physical properties of the complex

Solvent (Association (MCS))

cyclohexane

Temperature (Association (MCS)) [°C]

26.9

Partner (Association (MCS))

2-Hydroxy-5-methylisophthalaldehyde

Mukherjee, Samaresh; Bulletin of the Chemical Society of Japan; vol. 60; nb. 3; (1987); p. 1119 - 1124, View in Reaxys 34 of 51

Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

ethanol; H2O

Temperature (Association (MCS)) [°C]

25

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Partner (Association (MCS))

ethylenediaminetetraacetic acid; var. lanthanide(3+) ions

Limaye, Sudhir N.; Saxena, Mahesh C.; Canadian Journal of Chemistry; vol. 64; (1986); p. 865 - 870, View in Reaxys 35 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

aq. HNO3

Temperature (Association (MCS)) [°C]

30

Partner (Association (MCS))

nitrilotriacetic acid; lanthanium(III)

Kale, B. D.; Mhaske, T. H.; Journal of the Indian Chemical Society; vol. 62; nb. 2; (1985); p. 106 - 107, View in Reaxys 36 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

aq. HNO3

Temperature (Association (MCS)) [°C]

30

Partner (Association (MCS))

nitrilotriacetic acid; thorium(IV)

Kale, B. D.; Mhaske, T. H.; Journal of the Indian Chemical Society; vol. 62; nb. 2; (1985); p. 106 - 107, View in Reaxys 37 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

aq. HNO3

Temperature (Association (MCS)) [°C]

30

Partner (Association (MCS))

ethylenediaminetetraacetic acid; lanthanium(III)

Kale, B. D.; Mhaske, T. H.; Journal of the Indian Chemical Society; vol. 62; nb. 2; (1985); p. 106 - 107, View in Reaxys 38 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

aq. HNO3

Temperature (Association (MCS)) [°C]

30

Partner (Association (MCS))

ethylenediaminetetraacetic acid; thorium(IV)

Kale, B. D.; Mhaske, T. H.; Journal of the Indian Chemical Society; vol. 62; nb. 2; (1985); p. 106 - 107, View in Reaxys 39 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

aq. H2SO4

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

η-cyclodextrin

Kawaguchi; Tanaka; Nakae; Funazo; Shono; Analytical Chemistry; vol. 55; nb. 12; (1983); p. 1852 - 1857, View in Reaxys 40 of 51

Description (Association (MCS))

Stability constant of the complex with ...

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Solvent (Association (MCS))

aq. H2SO4

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

alpha cyclodextrin

Kawaguchi; Tanaka; Nakae; Funazo; Shono; Analytical Chemistry; vol. 55; nb. 12; (1983); p. 1852 - 1857, View in Reaxys 41 of 51

Description (Association (MCS))

UV/VIS spectrum of the complex

Partner (Association (MCS))

N-hydroxy-N-m-tolyl-N'-(2-methyl-5-chloro)phenyl-p-toluamidine hydrochloride; vanadium(V)

Verma, H. S.; Rastogi, S. C.; Saxena, R. C.; Mathur, K. C.; Journal of the Indian Chemical Society; vol. 58; (1981); p. 188 189, View in Reaxys 42 of 51

Description (Association (MCS))

IR spectrum of the complex

Partner (Association (MCS))

dipentyl sulphoxide

Egutkin, N. L.; Denisenko, Yu. I.; Nikitin, Yu. E.; Russian Journal of Physical Chemistry; vol. 55; nb. 4; (1981); p. 588 - 589; Zhurnal Fizicheskoi Khimii; vol. 55; (1981); p. 1049 - 1051, View in Reaxys 43 of 51

Description (Association (MCS))

IR spectrum of the complex

Partner (Association (MCS))

2,4,6-trinitrotoluene

Matsunaga, Yoshio; Usui, Reiko; Bulletin of the Chemical Society of Japan; vol. 53; nb. 11; (1980); p. 3085 - 3088, View in Reaxys 44 of 51

Description (Association (MCS))

Further physical properties of the complex

Partner (Association (MCS))

2,4,6-trinitrotoluene

Matsunaga, Yoshio; Usui, Reiko; Bulletin of the Chemical Society of Japan; vol. 53; nb. 11; (1980); p. 3085 - 3088, View in Reaxys 45 of 51

Description (Association (MCS))

UV/VIS spectrum of the complex

Partner (Association (MCS))

1,3,5-trinitrobenzene

Matsunaga, Yoshio; Usui, Reiko; Bulletin of the Chemical Society of Japan; vol. 53; nb. 11; (1980); p. 3085 - 3088, View in Reaxys 46 of 51

Description (Association (MCS))

Further physical properties of the complex

Partner (Association (MCS))

ethylenediamine; Li, Na

Banerjee, A. K.; Prakash, Dharm; Sinha, T. K.; Roy, S. K.; Journal of the Indian Chemical Society; vol. 57; nb. 11; (1980); p. 1129 - 1130, View in Reaxys 47 of 51

Description (Association (MCS))

IR spectrum of the complex

Partner (Association (MCS))

ethylenediamine; Li, Na

Banerjee, A. K.; Prakash, Dharm; Sinha, T. K.; Roy, S. K.; Journal of the Indian Chemical Society; vol. 57; nb. 11; (1980); p. 1129 - 1130, View in Reaxys 48 of 51

Description (Association (MCS))

UV/VIS spectrum of the complex

Solvent (Association (MCS))

benzene

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Partner (Association (MCS))

pyridine; Fe(NH4)(SO4)2

Ravindhranath, K.; Subbaiyan, M.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 6; (1980); p. 605 - 607, View in Reaxys 49 of 51

Description (Association (MCS))

UV/VIS spectrum of the complex

Solvent (Association (MCS))

benzene

Partner (Association (MCS))

Fe(NH4)(SO4)2

Ravindhranath, K.; Subbaiyan, M.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 6; (1980); p. 605 - 607, View in Reaxys 50 of 51

Description (Association (MCS))

Stability constant of the complex with ...

Raghavan; Santappa; Journal of Inorganic and Nuclear Chemistry; vol. 35; (1973); p. 3363, View in Reaxys 51 of 51

Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

acetamide

Dshelomanowa et al.; Zhurnal Obshchei Khimii; vol. 26; (1956); p. 1322; engl. Ausg. S. 1493, View in Reaxys Boundary Surface Phenomena (MCS) (2) 1 of 2

Description (Boundary Surface Phenomena (MCS))

Surface tension

Kamienski; Paluch; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 8; (1960); p. 673,674, 675, View in Reaxys 2 of 2

Description (Boundary Surface Phenomena (MCS))

Surface potential

Kamienski; Paluch; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 8; (1960); p. 673,674, 675, View in Reaxys Chromatographic Data (1) Chromatographic Location data HPLC (High performance liquid chromatography)

References

supporting informa- Guo, Yong; Li, Wengang; Yan, Jingjing; Moosa, Basem; Amad, Ma'An; Werth, Charles J.; tion Khashab, Niveen M.; Chemistry - An Asian Journal; vol. 7; nb. 12; (2012); p. 2842 - 2847, View in Reaxys

Circular Dichroism (1) References Kaito et al.; Bulletin of the Chemical Society of Japan; vol. 49; (1976); p. 2207,2208,2210,2211, View in Reaxys; Ikeda; Uekama; Otagiri; Hatano; Journal of pharmaceutical sciences; vol. 63; nb. 7; (1974); p. 1168 - 1169, View in Reaxys Complex Phase Equilibria (MCS) (1) 1 of 1

Description (Complex Phase Equilibria (MCS))

Liquid-solid-vapour phase equilibrium

Temperature (Complex Phase Equilibria (MCS)) [°C]

35 - 45

Pressure (Complex Phase Equilibria (MCS)) [Torr]

11048.4 - 62870

Partner (Complex Phase Equilibria (MCS))

ethanol; carbon dioxide

Liu, Zhimin; Yang, Guanying; Ge, Lei; Han, Buxing; Journal of Chemical and Engineering Data; vol. 45; nb. 6; (2000); p. 1179 - 1181, View in Reaxys Crystal Phase (20)

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Description (Crystal Phase)

Comment (Crystal Phase)

References

Polymorphism

Hardy, Gordon E.; Kaska, William C.; Chandra, B. P.; Zink, Jeffrey I.; Journal of the American Chemical Society; vol. 103; nb. 5; (1981); p. 1074 - 1079, View in Reaxys; Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys; d'Avignon, Dana A.; Brown, Theodore L.; Journal of Physical Chemistry; vol. 85; nb. 26; (1981); p. 4073 - 4079, View in Reaxys; Ha, Jeong-Myeong; Wolf, Johanna H.; Hillmyer, Marc A.; Ward, Michael D.; Journal of the American Chemical Society; vol. 126; nb. 11; (2004); p. 3382 - 3383, View in Reaxys; Trask, Andrew V.; Shan, Ning; Motherwell, W. D. Samuel; Jones, William; Feng, Shaohua; Tan, Reginald B. H.; Carpenter, Keith J.; Chemical Communications; nb. 7; (2005); p. 880 - 882, View in Reaxys

Structure of the sol- polycryst.. Obid ject(s) of Study: Xray diffraction

Ha, Jeong-Myeong; Wolf, Johanna H.; Hillmyer, Marc A.; Ward, Michael D.; Journal of the American Chemical Society; vol. 126; nb. 11; (2004); p. 3382 - 3383, View in Reaxys

Crystal morphology

Boone et al.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry; vol. 33; (1977); p. 3205, View in Reaxys; Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys; Das, Ishwar; Kumar, Anuj; Agrawal, Namita Rani; Lall; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 38; nb. 4; (1999); p. 307 - 310, View in Reaxys

Crystal structure determination

.; Method of determination: Powder X-ray Diffraction

Smith, Graham; Lynch, Daniel E.; Byriel, Karl A.; Kennard, Colin H. L.; Journal of Chemical Crystallography; vol. 27; nb. 5; (1997); p. 307 - 317, View in Reaxys

Interplanar spacing

Smith, Graham; Lynch, Daniel E.; Byriel, Karl A.; Kennard, Colin H. L.; Journal of Chemical Crystallography; vol. 27; nb. 5; (1997); p. 307 - 317, View in Reaxys

Crystal habit

Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys; Kaupp, Gerd; Schmeyers, Jens; Haak, Michael; Marquardt, Thorsten; Herrmann, Andreas; Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals; vol. 276-277; (1996); p. 315 317, View in Reaxys

Crystal structure determination

Belousova et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 815,792, View in Reaxys; Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys

Crystal structure determination

a=15.99 AngHardy, Gordon E.; Kaska, William C.; Chandra, B. P.; Zink, Jeffrey I.; Journal of the Ameristroem, b=11.62 can Chemical Society; vol. 103; nb. 5; (1981); p. 1074 - 1079, View in Reaxys Angstroem, c=7.16 Angstroem, n=8.; Method of determination: Single Crystal X-ray Diffraction

Crystal structure determination

a=12.23 AngHardy, Gordon E.; Kaska, William C.; Chandra, B. P.; Zink, Jeffrey I.; Journal of the Ameristroem, b=15.34 can Chemical Society; vol. 103; nb. 5; (1981); p. 1074 - 1079, View in Reaxys Angstroem, c=7.56 Angstroem, n=4.; Method of determination: Single Crystal X-ray Diffraction

Solid state structure properties

Tamura,C. et al.; Bulletin of the Chemical Society of Japan; vol. 44; (1971); p. 1473 - 1479, View in Reaxys; Zorkii; Razumaeva; Journal of Structural Chemistry; vol. 20; (1979); p. 390,392; ; p. 463, View in Reaxys; Lasheen; Philosophical Transactions of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 256; (1964); p. 357,371, View in Reaxys

Crystal structure determination

(Roentgen-DiaBoone et al.; Acta Crystallographica; vol. <B> 33; (1977); p. 3205, View in Reaxys gramm) bei Raumtemperatur; Modifikation II.

Polymorphism

Anthranilsaeure ex- Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133, View in Reaxys istiert in 3 Modifikationen.

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Crystal structure determination

.; bei -150grad und +25grad.

Khan; Srivastava; Indian J. pure appl. Physics; vol. 6; (1968); p. 166, View in Reaxys

Crystal structure determination

.; bei 20grad.

Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys

Crystal structure determination

a=16.05 Angstroem, b=11.65 Angstroem, c=7.2 Angstroem, n=8.; aus dem RoentgenDiagramm ermittelt.

McCrone; Analytical Chemistry; vol. 21; (1949); p. 1016, View in Reaxys; Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys; Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys

Crystal structure determination

a=12.8 Angstroem, b=10.78 Angstroem, c=9.4 Angstroem, n=8.; aus dem Roentgen-Diagramm ermittelt.

Kitaigorodskii; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1948); p. 278,288; Structure Reports; vol. 11; (1947); p. 662; Chem.Abstr.; (1949); p. 930, View in Reaxys; McCrone; Analytical Chemistry; vol. 21; (1949); p. 1016, View in Reaxys; Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys; Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys; Khan; Srivastava; Indian J. pure appl. Physics; vol. 6; (1968); p. 166, View in Reaxys; Astbury; Yardley; Philosophical Transactions of the Royal Society of London; vol. <A> 224; (1924); p. 221,234, View in Reaxys

Crystal structure determination

(Roentgen-DiaBrown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engigramm) bei Raum- neering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys temperatur; Modifikation I.

Crystal structure determination

.; bei -180grad und +30grad.

Crystal structure determination

.; bei -180grad und Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, +30grad; Modifika- View in Reaxys tion III.

Crystal structure determination

η=97.2 grad, a=15.85 Angstroem, b=12.31 Angstroem, c=6.81 Angstroem, n=8.; aus dem RoentgenDiagramm ermittelt.

Crystal Property Description (11) Colour & Other Location Properties

Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys

McCrone; Analytical Chemistry; vol. 21; (1949); p. 1016, View in Reaxys; Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys

References

white

Paragraph 0088

Patent; Jinan University; Chen Heru; Zhang Lei; Zhang Chao; (20 pag.); CN107522691; (2017); (A) Chinese, View in Reaxys

white

Paragraph 0040

Patent; Xuzhou Medical University; Liu, Yi; Ding, Yan; Luo, Xuan; Guo, Anlei; Hua, Yuzhou; Liu, Li; Huang, Jie; Fang, Tongyong; (15 pag.); CN106243035; (2016); (A) Chinese, View in Reaxys

brown

Paragraph 0024

Patent; Ocean University of China; Jiang, Tao; Yin, ruijuan; Zhang, Li Juan; (38 pag.); CN103497211; (2016); (B) Chinese, View in Reaxys

pink

Jiang, Shanfeng; Jansens, Pieter J.; Ter Horst, Joop H.; Crystal Growth and Design; vol. 10; nb. 6; (2010); p. 2541 - 2547, View in Reaxys

yellow

Jiang, Shanfeng; Jansens, Pieter J.; Ter Horst, Joop H.; Crystal Growth and Design; vol. 10; nb. 6; (2010); p. 2541 - 2547, View in Reaxys

colourless

Wang, Qiang-Li; Zhang, Han; Jiang, Yun-Bao; Tetrahedron Letters; vol. 50; nb. 1; (2009); p. 29 - 31, View in Reaxys

white

Patent; Gruenenthal GmbH; US2008/293749; (2008); (A1) English, View in Reaxys

gelb

Boone et al.; Acta Crystallographica; vol. <B> 33; (1977); p. 3205, View in Reaxys

braun

Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys

farblos

Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys

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Blaetter

Haushofer; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie; vol. 1; (1877); p. 503; Justus Liebigs Annalen der Chemie; vol. 193; (1878); p. 220, View in Reaxys; Negri; Gazzetta Chimica Italiana; vol. 26 I; (1896); p. 64, View in Reaxys; P.Groth, Chemische Krystallographie 4.Teil <Leipzig 1917> S. 508, View in Reaxys

Crystal System (3) Crystal System Comment (Crystal System) Crystal system given

References Jiang, Shanfeng; Jansens, Pieter J.; Ter Horst, Joop H.; Crystal Growth and Design; vol. 10; nb. 6; (2010); p. 2541 - 2547, View in Reaxys

monoclinic

McCrone; Analytical Chemistry; vol. 21; (1949); p. 1016, View in Reaxys; Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys; Hardy, Gordon E.; Kaska, William C.; Chandra, B. P.; Zink, Jeffrey I.; Journal of the American Chemical Society; vol. 103; nb. 5; (1981); p. 1074 - 1079, View in Reaxys

rhombic

Kitaigorodskii; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1948); p. 278,288; Structure Reports; vol. 11; (1947); p. 662; Chem.Abstr.; (1949); p. 930, View in Reaxys; McCrone; Analytical Chemistry; vol. 21; (1949); p. 1016, View in Reaxys; Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys; Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys; Khan; Srivastava; Indian J. pure appl. Physics; vol. 6; (1968); p. 166, View in Reaxys; Astbury; Yardley; Philosophical Transactions of the Royal Society of London; vol. <A> 224; (1924); p. 221,234, View in Reaxys; Boone et al.; Acta Crystallographica; vol. <B> 33; (1977); p. 3205, View in Reaxys; Hardy, Gordon E.; Kaska, William C.; Chandra, B. P.; Zink, Jeffrey I.; Journal of the American Chemical Society; vol. 103; nb. 5; (1981); p. 1074 - 1079, View in Reaxys

Dissociation Exponent (110) 1 of 110

Dissociation Exponent (pK)

1.8 - 2.1

Dissociation Group

NH3+

Solvent (Dissociation Exponent)

water

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

b1/apparent

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys 2 of 110

Dissociation Exponent (pK)

4.95

Dissociation Group

COOH

Solvent (Dissociation Exponent)

water

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a1/apparent

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys 3 of 110

Dissociation Exponent (pK)

-0.687529

Dissociation Group

H(+)

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Type (Dissociation Exponent)

a1/apparent

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Pytela, Oldrich; Prusek, Ondrej; Collection of Czechoslovak Chemical Communications; vol. 64; nb. 1; (1999); p. 1617 1628, View in Reaxys 4 of 110

Dissociation Exponent (pK)

-1.03902

Dissociation Group

H(+)

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

ethanol

Type (Dissociation Exponent)

a1/apparent

Pytela, Oldrich; Prusek, Ondrej; Collection of Czechoslovak Chemical Communications; vol. 64; nb. 1; (1999); p. 1617 1628, View in Reaxys 5 of 110

Dissociation Exponent (pK)

10.06

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

methanol

Type (Dissociation Exponent)

a1/apparent

Smiataczowa, K.; Wawrzynow, A.; Korewa, R.; Polish Journal of Chemistry; vol. 69; nb. 9; (1995); p. 1306 - 1314, View in Reaxys 6 of 110

Dissociation Exponent (pK)

6.3

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

ethanol; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Abu-Bakr, Mohamed S.; Khalil, Mohamed M.; Sedaira, Hassan; Hashem, Elham Y.; Indian Journal of Chemistry, Section A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical Chemistry; vol. 33; nb. 7; (1994); p. 644 - 650, View in Reaxys 7 of 110

Dissociation Exponent (pK)

4.6

Dissociation Group

COOH

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Type (Dissociation Exponent)

a1/apparent

Bastide; Badon; Cambon; Vega; Pesticide Science; vol. 40; nb. 4; (1994); p. 293 - 297, View in Reaxys 8 of 110

Dissociation Exponent (pK)

4.88

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

H2O

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Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Bisht, J. P. S.; Bisht, N. P. S.; Singh, S. P.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 28; nb. 9; (1989); p. 812 - 813, View in Reaxys 9 of 110

Dissociation Exponent (pK)

4.68

Dissociation Group

-COOH

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

various solvent(s)

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/apparent

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 10 of 110

Dissociation Exponent (pK)

2.15

Dissociation Group

-NH3(1+)

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

various solvent(s)

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 11 of 110

Type (Dissociation Exponent)

a1/apparent

Idriss, Kamal A.; Seleim, Mohamed M.; El-Shahawy, Anwar S.; Saleh, Magda, S.; Sedaira, Hassan; Monatshefte fuer Chemie; vol. 119; (1988); p. 683 - 692, View in Reaxys 12 of 110

Dissociation Exponent (pK)

2.14

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

aq. HClO4

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

b1/apparent

Garcia, Begona; Leal, Jose M.; Collection of Czechoslovak Chemical Communications; vol. 52; nb. 2; (1987); p. 299 - 307, View in Reaxys 13 of 110

Dissociation Exponent (pK)

2.15

Temperature (Dissociation Exponent) [°C]

25

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Solvent (Dissociation Exponent)

aq. HClO4

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

b1/apparent

Garcia, Begona; Leal, Jose M.; Collection of Czechoslovak Chemical Communications; vol. 52; nb. 2; (1987); p. 299 - 307, View in Reaxys 14 of 110

Dissociation Exponent (pK)

4.93

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

aq. HClO4

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

b2/apparent

Garcia, Begona; Leal, Jose M.; Collection of Czechoslovak Chemical Communications; vol. 52; nb. 2; (1987); p. 299 - 307, View in Reaxys 15 of 110

Dissociation Exponent (pK)

4.95

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

aq. HClO4

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

b2/apparent

Garcia, Begona; Leal, Jose M.; Collection of Czechoslovak Chemical Communications; vol. 52; nb. 2; (1987); p. 299 - 307, View in Reaxys 16 of 110

Dissociation Exponent (pK)

5.87

Dissociation Group

OH

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

methanol; H2O

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 30percent methanol

Miyake, Keishiro; Kitaura, Fukiko; Mizuno, Nobuyasu; Terada, Hiroshi; Chemical & Pharmaceutical Bulletin; vol. 35; nb. 1; (1987); p. 377 - 388, View in Reaxys 17 of 110

Dissociation Exponent (pK)

2

Dissociation Group

NH

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

methanol; H2O

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Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 30percent methanol

Miyake, Keishiro; Kitaura, Fukiko; Mizuno, Nobuyasu; Terada, Hiroshi; Chemical & Pharmaceutical Bulletin; vol. 35; nb. 1; (1987); p. 377 - 388, View in Reaxys 18 of 110

Dissociation Exponent (pK)

9.84

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

methanol

Type (Dissociation Exponent)

a1/apparent

Juilliard, Jean; Tissier, Claude; Albrecht-Gary, Anne-Marie; Boyd, Donald W.; Jeminet, Georges; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 84; nb. 7-8; (1987); p. 935 - 940, View in Reaxys 19 of 110

Dissociation Exponent (pK)

2.14

Dissociation Group

COOH

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Type (Dissociation Exponent)

a1/thermodynamic

Niazi; Mollin; Bulletin of the Chemical Society of Japan; vol. 60; nb. 7; (1987); p. 2605 - 2610, View in Reaxys 20 of 110

Dissociation Exponent (pK)

4.92

Dissociation Group

NH3(1+)

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Type (Dissociation Exponent)

a2/thermodynamic

Niazi; Mollin; Bulletin of the Chemical Society of Japan; vol. 60; nb. 7; (1987); p. 2605 - 2610, View in Reaxys 21 of 110

Dissociation Exponent (pK)

2.05

Dissociation Group

COOH

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a1/thermodynamic

Comment (Dissociation Exponent)

Ratio of solvents: 10percent EtOH

Niazi; Mollin; Bulletin of the Chemical Society of Japan; vol. 60; nb. 7; (1987); p. 2605 - 2610, View in Reaxys 22 of 110

Dissociation Exponent (pK)

1.82

Dissociation Group

COOH

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Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a1/thermodynamic

Comment (Dissociation Exponent)

Ratio of solvents: 30percent EtOH

Niazi; Mollin; Bulletin of the Chemical Society of Japan; vol. 60; nb. 7; (1987); p. 2605 - 2610, View in Reaxys 23 of 110

Dissociation Exponent (pK)

1.43

Dissociation Group

COOH

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a1/thermodynamic

Comment (Dissociation Exponent)

Ratio of solvents: 50percent EtOH

Niazi; Mollin; Bulletin of the Chemical Society of Japan; vol. 60; nb. 7; (1987); p. 2605 - 2610, View in Reaxys 24 of 110

Dissociation Exponent (pK)

1.37

Dissociation Group

COOH

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a1/thermodynamic

Comment (Dissociation Exponent)

Ratio of solvents: 72percent EtOH

Niazi; Mollin; Bulletin of the Chemical Society of Japan; vol. 60; nb. 7; (1987); p. 2605 - 2610, View in Reaxys 25 of 110

Dissociation Exponent (pK)

5.03

Dissociation Group

NH3(1+)

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a2/thermodynamic

Comment (Dissociation Exponent)

Ratio of solvents: 10percent EtOH

Niazi; Mollin; Bulletin of the Chemical Society of Japan; vol. 60; nb. 7; (1987); p. 2605 - 2610, View in Reaxys 26 of 110

Dissociation Exponent (pK)

5.43

Dissociation Group

NH3(1+)

Temperature (Dissociation Exponent) [°C]

25

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Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a2/thermodynamic

Comment (Dissociation Exponent)

Ratio of solvents: 30percent EtOH

Niazi; Mollin; Bulletin of the Chemical Society of Japan; vol. 60; nb. 7; (1987); p. 2605 - 2610, View in Reaxys 27 of 110

Dissociation Exponent (pK)

6.15

Dissociation Group

NH3(1+)

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a2/thermodynamic

Comment (Dissociation Exponent)

Ratio of solvents: 50percent EtOH

Niazi; Mollin; Bulletin of the Chemical Society of Japan; vol. 60; nb. 7; (1987); p. 2605 - 2610, View in Reaxys 28 of 110

Dissociation Exponent (pK)

6.75

Dissociation Group

NH3(1+)

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a2/thermodynamic

Comment (Dissociation Exponent)

Ratio of solvents: 72percent EtOH

Niazi; Mollin; Bulletin of the Chemical Society of Japan; vol. 60; nb. 7; (1987); p. 2605 - 2610, View in Reaxys 29 of 110

Dissociation Exponent (pK)

6.6

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

dioxane; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 1:1 v/v

Patel, Suresh; Chudasama, Uma; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 2; (1986); p. 201 - 202, View in Reaxys 30 of 110

Dissociation Exponent (pK)

4.86

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

H2O

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Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 31 of 110

Dissociation Exponent (pK)

5.3

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

dioxane; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20:80, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 32 of 110

Dissociation Exponent (pK)

5.38

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

dioxane; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20:80, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 33 of 110

Dissociation Exponent (pK)

6.14

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

dioxane; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 40:60, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 34 of 110

Dissociation Exponent (pK)

6.1

Temperature (Dissociation Exponent) [°C]

30

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Solvent (Dissociation Exponent)

dioxane; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 40:60, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 35 of 110

Dissociation Exponent (pK)

6.78

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

dioxane; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 50:50, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 36 of 110

Dissociation Exponent (pK)

6.68

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

dioxane; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 50:50, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 37 of 110

Dissociation Exponent (pK)

4.99

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

ethanol; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20:80, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys

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Dissociation Exponent (pK)

4.82

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

ethanol; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20:80, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 39 of 110

Dissociation Exponent (pK)

4.92

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

ethanol; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20:80, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 40 of 110

Dissociation Exponent (pK)

5.5

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

ethanol; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 40:60, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 41 of 110

Dissociation Exponent (pK)

5.3

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

ethanol; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

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Comment (Dissociation Exponent)

Ratio of solvents: 40:60, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 42 of 110

Dissociation Exponent (pK)

5.38

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

ethanol; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 40:60, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 43 of 110

Dissociation Exponent (pK)

5.71

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

ethanol; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 50:50, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 44 of 110

Dissociation Exponent (pK)

5.51

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

ethanol; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 50:50, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 45 of 110

Dissociation Exponent (pK)

5.64

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

ethanol; H2O

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Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 50:50, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 46 of 110

Dissociation Exponent (pK)

5.44

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

tetrahydrofuran; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20:80, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 47 of 110

Dissociation Exponent (pK)

5.41

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

tetrahydrofuran; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20:80, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 48 of 110

Dissociation Exponent (pK)

6.29

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

tetrahydrofuran; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 40:60, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 49 of 110

Dissociation Exponent (pK)

6.34

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Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

tetrahydrofuran; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 40:60, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 50 of 110

Dissociation Exponent (pK)

7.09

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

tetrahydrofuran; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 60:40, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 51 of 110

Dissociation Exponent (pK)

7.08

Temperature (Dissociation Exponent) [°C]

30

Solvent (Dissociation Exponent)

tetrahydrofuran; H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 60:40, v/v

Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys 52 of 110

Comment (Dissociation Exponent)

(k')K(a) in 85percent A.

Toekes et al.; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 260; (1979); p. 1,4 - 6, View in Reaxys 53 of 110

Comment (Dissociation Exponent)

(pk')pK(a)

Kurono; Ikeda; Uekama; Chemical and Pharmaceutical Bulletin; vol. 23; nb. 2; (1975); p. 340 - 345, View in Reaxys; Sandell; Naturwissenschaften; vol. 53; (1966); p. 330, View in Reaxys; Gur'ev; Gur'eva; J. Anal. Chem. USSR (Engl. Transl.); vol. 32; (1977); p. 2442,1933, View in Reaxys; Dash; Thermochimica Acta; vol. 32; (1979); p. 33,34, View in Reaxys; Nassar; Hindawey; Egyptian Journal of Chemistry; vol. 19; (1976); p. 257,262, View in Reaxys 54 of 110

Comment (Dissociation Exponent)

(pk')pK in H2O/A.-Lsg.

Lukkari et al.; Finnish Chemical Letters; (1978); p. 93, View in Reaxys

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Comment (Dissociation Exponent)

(pk')pk(a) (Tab.III)

Horvath et al.; Analytical Chemistry; vol. 49; (1977); p. 142,150, View in Reaxys 56 of 110

Comment (Dissociation Exponent)

(pk')pk(a) (Tab.II)

Pietrzyk; Chu; Analytical Chemistry; vol. 49; (1977); p. 860,862, View in Reaxys 57 of 110

Comment (Dissociation Exponent)

(pk')pK - Werte in Dioxan Tab. 1

Jakagirdar et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1977); p. 1513, View in Reaxys 58 of 110

Comment (Dissociation Exponent)

(k')pK

Pethe; Mali; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical; vol. 15; (1977); p. 998, View in Reaxys 59 of 110

Comment (Dissociation Exponent)

(pk')pK(a) (COOH), pK(a)(NH3+) im excit. Zustand (aus Spectralshift)

Kopylova et al.; Russian Journal of Physical Chemistry; vol. 51; (1977); p. 944; ; p. 1601, View in Reaxys 60 of 110

Comment (Dissociation Exponent)

(pk')pK

Poonia; Truter; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1972); p. 1791,1793, View in Reaxys; Arama et al.; Journal of Luminescence; vol. 5; (1972); p. 439,441,444, View in Reaxys; Dash; Thermochimica Acta; vol. 17; (1976); p. 147,151,152, View in Reaxys 61 of 110

Comment (Dissociation Exponent)

(pk')pK (aus Kortuem et al., Dissociation Constants of organic Acids in aqueous Solutions, London 1961)

Kuebel; Berichte der Bunsen-Gesellschaft; vol. 78; (1974); p. 548,551, View in Reaxys 62 of 110

Comment (Dissociation Exponent)

(pk')pKa

Issa; El-Essawey; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 253; (1973); p. 96,98, View in Reaxys 63 of 110

Comment (Dissociation Exponent)

(pk')Zwitterionen-Konz. (pK-Werte) in W.

Mentre; Annales de Chimie (Cachan, France); vol. 8; nb. 14; (1973); p. 115,120,121, View in Reaxys 64 of 110

Comment (Dissociation Exponent)

65 of 110

Comment (Dissociation Exponent)

(pk')Zwitterionen-Konz. (pK-Werte) in wss. Me.

Mentre; Annales de Chimie (Cachan, France); vol. 8; nb. 14; (1973); p. 115,120,121, View in Reaxys (pk')pKa in Aceton (aus potent. Titr.)

Barabanov et al.; Russian Journal of Physical Chemistry; vol. 47; (1973); p. 1304; ; p. 2136, View in Reaxys 66 of 110

Comment (Dissociation Exponent)

(pk')pKa in H2O (aus potent. Titr.)

Barabanov et al.; Russian Journal of Physical Chemistry; vol. 47; (1973); p. 1304; ; p. 2136, View in Reaxys 67 of 110

Comment (Dissociation Exponent)

(k')pK(1), pK(2) in wss. Me (Tab.IV)

Mentre; Annales de Chimie (Cachan, France); vol. 7; nb. 14; (1972); p. 333,339, View in Reaxys 68 of 110

Comment (Dissociation Exponent)

(k')pK in MeOH/CaCO3-Lsg.

Blaszek-Bodo; Liteanu; Revue Roumaine de Chimie; vol. 17; (1972); p. 1771,1774, View in Reaxys 69 of 110

Comment (Dissociation Exponent)

(k')in Methanol

Kreshkov et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 25; (1970); p. 1392,1197, View in Reaxys

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Comment (Dissociation Exponent)

(k')in Aethanol

Kreshkov et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 25; (1970); p. 1392,1197, View in Reaxys 71 of 110

Comment (Dissociation Exponent)

(k')in Butanol

Kreshkov et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 25; (1970); p. 1392,1197, View in Reaxys 72 of 110

Comment (Dissociation Exponent)

(k')in Aceton

Kreshkov et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 25; (1970); p. 1392,1197, View in Reaxys 73 of 110

Comment (Dissociation Exponent)

(k')in CH3COC2H5

Kreshkov et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 25; (1970); p. 1392,1197, View in Reaxys 74 of 110

Comment (Dissociation Exponent)

(k')in CH3COC4H9

Kreshkov et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 25; (1970); p. 1392,1197, View in Reaxys 75 of 110

Comment (Dissociation Exponent)

(k')K(A) (Tab.2)

Dunn; Dayal; Canadian Journal of Chemistry; vol. 48; (1970); p. 3349,3350,3351,3352,3353, View in Reaxys 76 of 110

Comment (Dissociation Exponent)

(pk')pK(a) in HOAc (Tab.1)

Kreshkov et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 39; (1969); p. 1877,1837, View in Reaxys 77 of 110

Comment (Dissociation Exponent)

(pk')Saeureanion: pK(a1), pK(a2); (Tab.2)

Pratt; Lawlor; Chemical Communications (London); (1968); p. 522, View in Reaxys 78 of 110

Comment (Dissociation Exponent)

(pk')pK-Best. in Eisessig

Kilpi; Suomen Kemistilehti B; vol. 41; (1968); p. 169, View in Reaxys 79 of 110

Comment (Dissociation Exponent)

(pk')pK(1): 2.1; pK(2): 4.9

Kuhn; Geider; Chemische Berichte; vol. 101; (1968); p. 3587, View in Reaxys 80 of 110

Comment (Dissociation Exponent)

(pk')pK(1)=1.89, pK(2)=4.866 (fuer 25grad), pK(1)=2.296, pK(2)=4.955 (fuer 10grad)

Schmid et al.; Monatshefte fuer Chemie; vol. 98; (1967); p. 353, View in Reaxys 81 of 110

Comment (Dissociation Exponent)

(pk')pK(1); pK(2)

Legatte; Dunn; Canadian Journal of Chemistry; vol. 43; (1965); p. 1158,1166, View in Reaxys 82 of 110

Comment (Dissociation Exponent)

(k)in W., wss. Acn., wss. Dioxan, wss. DMF

Hargreaves et al.; Journal of the Chemical Society; (1965); p. 4582, View in Reaxys 83 of 110

Comment (Dissociation Exponent)

(k)

Saraswat; Tripathi; Bulletin of the Chemical Society of Japan; vol. 38; nb. 9; (1965); p. 1555 - 1557, View in Reaxys 84 of 110

Comment (Dissociation Exponent)

(pk')pK(1) = 4.89

Uhlig; Chemische Berichte; vol. 93; (1960); p. 2470,2471, View in Reaxys 85 of 110

Dissociation Exponent (pK)

4.77

Temperature (Dissociation Exponent) [°C]

20

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Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/thermodynamic

Peltier; Conti; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 244; (1957); p. 2811, View in Reaxys 86 of 110

Dissociation Exponent (pK)

2.11

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/thermodynamic

Lumme; Suomen Kemistilehti B; vol. 30; (1957); p. 168,175, View in Reaxys 87 of 110

Dissociation Exponent (pK)

4.95

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/thermodynamic

Lumme; Suomen Kemistilehti B; vol. 30; (1957); p. 168,175, View in Reaxys 88 of 110

Dissociation Exponent (pK)

2.14

Temperature (Dissociation Exponent) [°C]

20

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a1/thermodynamic

Liquori; Ripamonti; Gazzetta Chimica Italiana; vol. 85; (1955); p. 578,586, View in Reaxys 89 of 110

Dissociation Exponent (pK)

4.8

Temperature (Dissociation Exponent) [°C]

20

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a2/thermodynamic

Liquori; Ripamonti; Gazzetta Chimica Italiana; vol. 85; (1955); p. 578,586, View in Reaxys

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90 of 110

Dissociation Exponent (pK)

2.12

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a1/apparent

Vandenbelt et al.; Analytical Chemistry; vol. 26; (1954); p. 726, View in Reaxys 91 of 110

Dissociation Exponent (pK)

2.2

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Vandenbelt et al.; Analytical Chemistry; vol. 26; (1954); p. 726, View in Reaxys 92 of 110

Dissociation Exponent (pK)

4.8

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/apparent

Vandenbelt et al.; Analytical Chemistry; vol. 26; (1954); p. 726, View in Reaxys 93 of 110

Dissociation Exponent (pK)

4.9

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a2/apparent

Vandenbelt et al.; Analytical Chemistry; vol. 26; (1954); p. 726, View in Reaxys 94 of 110

Dissociation Exponent (pK)

2.05

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

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Type (Dissociation Exponent)

1/thermodynamic

Kilpi; Harjanne; Suomen Kemistilehti B; vol. 21; (1948); p. 14,17, View in Reaxys 95 of 110

Dissociation Exponent (pK)

4.95

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

2/thermodynamic

Kilpi; Harjanne; Suomen Kemistilehti B; vol. 21; (1948); p. 14,17, View in Reaxys 96 of 110

Solvent (Dissociation Exponent)

H2O

Schwarzenbach; Willi; Bach; Helvetica Chimica Acta; vol. 30; (1947); p. 1303,1307, View in Reaxys 97 of 110

Dissociation Exponent (pK)

12.2

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

b/apparent

Myrbaeck; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 158; (1926); p. 261, View in Reaxys 98 of 110

Solvent (Dissociation Exponent)

ethanol; H2O

Michaelis; Mizutani; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 116; (1925); p. 147, View in Reaxys 99 of 110

Dissociation Exponent (pK)

5.03

Temperature (Dissociation Exponent) [°C]

19

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a/apparent

Michaelis; Mizutani; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 116; (1925); p. 147, View in Reaxys 100 of 110

Dissociation Exponent (pK)

11.35

Temperature (Dissociation Exponent) [°C]

55

Solvent (Dissociation Exponent)

H2O

Type (Dissociation Exponent)

b/apparent

Arnall; Journal of the Chemical Society; vol. 117; (1920); p. 837, View in Reaxys; Groot; Biochemische Zeitschrift; vol. 137; (1923); p. 526, View in Reaxys

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101 of 110

Dissociation Exponent (pK)

5.17

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

H2O

Type (Dissociation Exponent)

apparent

White; Jones; American Chemical Journal; vol. 44; (1910); p. 197, View in Reaxys 102 of 110

Dissociation Exponent (pK)

4.97

Temperature (Dissociation Exponent) [°C]

25

Type (Dissociation Exponent)

a/apparent

Lunden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 561, View in Reaxys; Holmberg; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 62; (1908); p. 730, View in Reaxys; Cumming; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 57; (1907); p. 579,598; Chem. Zentralbl.; vol. 77; nb. II; (1906); p. 1008, View in Reaxys 103 of 110

Dissociation Exponent (pK)

4.84

Temperature (Dissociation Exponent) [°C]

45

Type (Dissociation Exponent)

a/apparent

Lunden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 561, View in Reaxys 104 of 110

Dissociation Exponent (pK)

4.9

Temperature (Dissociation Exponent) [°C]

35

Type (Dissociation Exponent)

a/apparent

Lunden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 561, View in Reaxys 105 of 110

Dissociation Exponent (pK)

5.06

Temperature (Dissociation Exponent) [°C]

15

Type (Dissociation Exponent)

a/apparent

Lunden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 561, View in Reaxys 106 of 110

Dissociation Exponent (pK)

11.62

Temperature (Dissociation Exponent) [°C]

35

Type (Dissociation Exponent)

b/apparent

Lunden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 561, View in Reaxys; Walker; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 49; (1904); p. 93, View in Reaxys; Winkelblech; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 36; (1901); p. 564,581, View in Reaxys

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107 of 110

Dissociation Exponent (pK)

11.86

Temperature (Dissociation Exponent) [°C]

25

Type (Dissociation Exponent)

b/apparent

Lunden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 561, View in Reaxys; Walker; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 49; (1904); p. 93, View in Reaxys; Winkelblech; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 36; (1901); p. 564,581, View in Reaxys 108 of 110

Dissociation Exponent (pK)

12.13

Temperature (Dissociation Exponent) [°C]

15

Type (Dissociation Exponent)

b/apparent

Lunden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 561, View in Reaxys; Walker; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 49; (1904); p. 93, View in Reaxys; Winkelblech; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 36; (1901); p. 564,581, View in Reaxys 109 of 110

Dissociation Exponent (pK)

4.98

Temperature (Dissociation Exponent) [°C]

25

Type (Dissociation Exponent)

a/apparent

Walker; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 51; (1905); p. 714, View in Reaxys; Winkelblech; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 36; (1901); p. 564,581, View in Reaxys 110 of 110

Dissociation Exponent (pK)

11.85

Temperature (Dissociation Exponent) [°C]

25

Type (Dissociation Exponent)

b/apparent

Farmer; Warth; Journal of the Chemical Society; vol. 85; (1904); p. 1726, View in Reaxys Electrical Data (9) 1 of 9

Description (Electrical Da- Electrical conductivity ta) Svensson,H.; Acta Chemica Scandinavica (1947-1973); vol. 16; (1962); p. 456 - 466, View in Reaxys; White; Jones; American Chemical Journal; vol. 42; (1909); p. 529, View in Reaxys; Lunden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 561, View in Reaxys; Vartanyan; Rozenshtein; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 25; (1961); p. 416; ; p. 428, View in Reaxys; Shastry; Bhagwai; Journal of the Indian Chemical Society; vol. 46; (1969); p. 287,290, View in Reaxys

2 of 9

Description (Electrical Da- Electrical properties ta) Gavrilova; Sov. Phys. Crystallogr. (Engl. Transl.); vol. 10; (1965); p. 114,91, View in Reaxys

3 of 9

Description (Electrical Da- Dielectric relaxation time ta) Kilin; Rozman; Optics and Spectroscopy; vol. 15; (1963); p. 266; ; p. 494, View in Reaxys

4 of 9

Description (Electrical Da- Electrical conductivity ta) Comment (Electrical Data) in Methanol, Butan-1-ol und Aceton in Abhaengigkeit von der Konzentration und der Temperatur (25-45grad).

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Chatterji; Bose; Journal of the Indian Chemical Society; vol. 27; (1950); p. 140,141, 142, View in Reaxys 5 of 9

Description (Electrical Da- Piezoelectricity ta) Hettich; Steinmetz; Zeitschrift fuer Physik; vol. 76; (1932); p. 688,699, View in Reaxys

6 of 9

Description (Electrical Da- Electrical conductivity ta) Comment (Electrical Data) in Alkohol zwischen 15grad und 35grad. Lloyd; Wiesel; Jones; Journal of the American Chemical Society; vol. 38; (1916); p. 126, View in Reaxys

7 of 9

Description (Electrical Da- Electrical conductivity ta) Comment (Electrical Data) in Wasser zwischen 0grad und 35grad. White; Jones; American Chemical Journal; vol. 44; (1910); p. 197, View in Reaxys

8 of 9

Description (Electrical Da- Electrical conductivity ta) Comment (Electrical Data) in Salzsaeure verschiedener Konzentration. Beveridge; Pr. Roy. Soc. Edinburgh; vol. 29; p. 656; Chem. Zentralbl.; vol. 81; nb. I; (1910); p. 735, View in Reaxys

9 of 9

Description (Electrical Da- Electrical conductivity ta) Comment (Electrical Data) bei 25grad. Ostwald; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 3; (1889); p. 286; Journal fuer Praktische Chemie (Leipzig); vol. <2> 32; (1885); p. 371, View in Reaxys

Electrical Moment (4) 1 of 4

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

1.17

Temperature (Electrical Moment) [°C]

25

Solvent (Electrical Moment)

dioxane

Kondrashina, Yu. G.; Vul'fson, S. G.; Timosheva, A. P.; Russian Chemical Bulletin; vol. 43; nb. 5; (1994); p. 803 - 805; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 5; (1994); p. 859 - 861, View in Reaxys 2 of 4

Description (Electrical Moment)

Quadrupole moment

Martin et al.; Journal of Pharmaceutical Sciences; vol. 68; (1979); p. 565,566, View in Reaxys 3 of 4

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

μ (aus A.L. McClellan, Tables of experimental Dipolmoments, W.H. Freeman, 1963)

Kuebel; Berichte der Bunsen-Gesellschaft; vol. 78; (1974); p. 548,551, View in Reaxys 4 of 4

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

1.51

Method (Electrical Moment)

Dielectric constant (η)

Solvent (Electrical Moment)

dioxane

Van Blaricom; Gilbert; Journal of the American Chemical Society; vol. 61; (1939); p. 3238, View in Reaxys Electrochemical Behaviour (21)

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Description (Electrochemical Behaviour)

Comment (Electrochemical Behaviour)

References

Electrolytic dissoci- in wss. Aethanol ation / protonation <10-90prozentig> equilibrium bei 25grad.

Olivares-Galván, Juan Carlos; Cañdo; Moreno; Driesen; Escarela; Palanivasagam; Electric Power Systems Research; vol. 63; nb. 1; (2002); p. 1 - 7, View in Reaxys

Thermodynamic parameters for dissociation / protonation

Christensen et al.; Journal of Physical Chemistry; vol. 71; (1967); p. 3001,3003, View in Reaxys; Niazi; Mollin; Journal of Chemical and Engineering Data; vol. 39; nb. 4; (1994); p. 830 - 833, View in Reaxys; Dash, Upendra N.; Journal of the Indian Chemical Society; vol. 72; nb. 7; (1995); p. 453 - 460, View in Reaxys

Electrolytic dissociation / protonation equilibrium

Silber; Swinehart; Journal of Physical Chemistry; vol. 71; (1967); p. 4344,4346, View in Reaxys; Willi et al.; Journal of Physical Chemistry; vol. 72; (1968); p. 3142,3143,3144,3147,3148, View in Reaxys; Garcia, Begona; Leal, Jose M.; Collection of Czechoslovak Chemical Communications; vol. 52; nb. 2; (1987); p. 299 - 307, View in Reaxys; Kaune, Egbert; Jaehnig, Wolfgang; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 23; nb. 9; (1983); p. 340 - 341, View in Reaxys; Idriss, Kamal A.; Seleim, Mohamed M.; El-Shahawy, Anwar S.; Saleh, Magda, S.; Sedaira, Hassan; Monatshefte fuer Chemie; vol. 119; (1988); p. 683 - 692, View in Reaxys; Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys; Patel, Suresh; Chudasama, Uma; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 2; (1986); p. 201 - 202, View in Reaxys; Pethe, L. D.; Hirve, V. G.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 22; nb. 2; (1983); p. 107 - 110, View in Reaxys; Bisht, J. P. S.; Bisht, N. P. S.; Singh, S. P.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 28; nb. 9; (1989); p. 812 - 813, View in Reaxys; Pytela, Oldrich; Liska, Josef; Collection of Czechoslovak Chemical Communications; vol. 59; nb. 9; (1994); p. 2005 - 2021, View in Reaxys

Kinetics of dissociation (electrolytic) / protonation

Juilliard, Jean; Tissier, Claude; Albrecht-Gary, Anne-Marie; Boyd, Donald W.; Jeminet, Georges; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 84; nb. 7-8; (1987); p. 935 - 940, View in Reaxys

Acidity

McMahon; Kebarle; Journal of the American Chemical Society; vol. 99; (1977); p. 2222,2225, View in Reaxys; Yamdagni et al.; Journal of the American Chemical Society; vol. 96; (1974); p. 4035, View in Reaxys; Gyarfas et al.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 102; (1979); p. 143,148, View in Reaxys

Electrochemical properties

Bercik et al.; Chemicke Zvesti; vol. 24; (1970); p. 290, View in Reaxys; Singh; Tandon; Monatshefte fuer Chemie; vol. 106; (1975); p. 871,872, View in Reaxys; Mathur et al.; Analytica Chimica Acta; vol. 23; (1960); p. 312; Chem.Abstr.; vol. 55; nb. 247; (1961), View in Reaxys; Belousova et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 815,792, View in Reaxys

Acidity

in Nitromethan.

Stability constant

von Komplexen mit Poole; Higuchi; Journal of the American Pharmaceutical Association (1912-1977); vol. 48; 1,4-Dimethyl-piper- (1959); p. 592,594, View in Reaxys azin-2,5-dion (H2O).

Stability constant

von Komplexen mit Higuchi; Bolton; Journal of the American Pharmaceutical Association (1912-1977); vol. 48; Oxytetracylin (1959); p. 557,560, View in Reaxys <Syst.-Nr. 1920> (H2O).

Acidity

in Pyridin.

Stability constant

von Komplexen mit Lumme; Suomen Kemistilehti B; vol. 31; (1958); p. 250,252, View in Reaxys Magnesium(2+), Calcium(2+), Strontium(2+) und Barium(2+) (H2O).

Stability constant

von Komplexen mit Lumme; Suomen Kemistilehti B; vol. 31; (1958); p. 250,252, View in Reaxys Silber(1+) (H2O).

Stability constant

von Komplexen mit Davis; Hetzer; Journal of Research of the National Bureau of Standards (United States); vol. 60; N,N'-Diphenyl-gua- (1958); p. 569,573, View in Reaxys nidin (Bzl.).

Electrolytic dissoci- in wss. Dioxan ation / protonation <50prozentig> bei equilibrium 35grad.

Streuli; Analytical Chemistry; vol. 31; (1959); p. 1652, View in Reaxys

Streuli; Miron; Analytical Chemistry; vol. 30; (1958); p. 1978,1979, View in Reaxys

Young; Sweet; Journal of the American Chemical Society; vol. 80; (1958); p. 800,802, View in Reaxys; Harris; Sweet; Journal of Physical Chemistry; vol. 60; (1956); p. 509, View in Reaxys

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Electrolytic dissoci- in H2SO4. ation / protonation equilibrium

O'Brien; Niemann; Journal of the American Chemical Society; vol. 73; (1951); p. 4264,4266, View in Reaxys

Electrolytic dissoci- in Essigsaeure. ation / protonation equilibrium

Kilpi; Puranen; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <A> 187; (1940); p. 276,280, View in Reaxys

Electrolytic dissoci- in wss. Essigsaeure. Kilpi; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <A> 177; (1936); p. 116,121, ation / protonation View in Reaxys equilibrium Electrolytic dissoci- in Methanol. ation / protonation equilibrium

Ogston; Brown; Transactions of the Faraday Society; vol. 31; (1935); p. 574,580, 581, View in Reaxys

Enthalpy of neutral- bei 15grad. ization

Devoto; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <6> 19; (1934); p. 50, View in Reaxys

Electrolytic dissoci- in Aethanol und in ation / protonation Aethanol-Wasserequilibrium Gemischen bei 25grad.

Bright; Briscoe; Journal of Physical Chemistry; vol. 37; (1933); p. 787,789, View in Reaxys

Enthalpy of neutral- mit Natronlauge. ization

Alexejew; Werner; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 21; (1889); p. 478; Bulletin de la Societe Chimique de France; vol. <3> 2; (1889); p. 717, View in Reaxys

Electrochemical Characteristics (4) 1 of 4

Description (Electrochemical Characteristics)

reduction potential

Solvent (Electrochemical Characteristics)

dimethylformamide

Janssen; Utley; Carre; Simon; Schirmer; Journal of the Chemical Society, Perkin Transactions 2; nb. 9; (2001); p. 1573 1584, View in Reaxys 2 of 4

Description (Electrochemical Characteristics)

polarographic half-wave potential

Davydovskaya et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 28; (1973); p. 522, View in Reaxys; Petrov et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 34; (1979); p. 1601,1238, View in Reaxys; Suatoni et al.; Analytical Chemistry; vol. 33; (1961); p. 1894,1895, View in Reaxys; Rees; Stephen; Journal of the Chemical Society; (1960); p. 4225,4226, 4227, View in Reaxys 3 of 4

Description (Electrochemical Characteristics)

redox potential

Pearce,P.J.; Simkins,R.J.J.; Canadian Journal of Chemistry; vol. 46; (1968); p. 241 - 248, View in Reaxys 4 of 4

Description (Electrochemical Characteristics)

polarographic current/voltage curve

Korschunow; Kusnezowa; Schtschennikowa; Zhurnal Fizicheskoi Khimii; vol. 23; (1949); p. 1292,1295; Chem.Abstr.; (1950); p. 2873, View in Reaxys; Veldstra; Havinga; Recueil des Travaux Chimiques des Pays-Bas; vol. 66; (1947); p. 273,276, View in Reaxys Energy Data (MCS) (4) 1 of 4

Description (Energy Data (MCS))

Enthalpy of evaporation

Comment (Energy Data (MCS))

diagram

Partner (Energy Data (MCS))

HF

Murlyshev; Kobzar'; Lazarchuk; Tomash; Krupin; Filimonov; Zherin; Gordienko; Gerasimenko; Russian Journal of Applied Chemistry; vol. 76; nb. 6; (2003); p. 879 - 883, View in Reaxys 2 of 4

Description (Energy Data (MCS))

Enthalpy of mixtures

Solvent (Energy Data (MCS))

ethanol; H2O

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Temperature (Energy Data (MCS)) [°C]

30 - 50

Comment (Energy Data (MCS))

Ratio of solvents: 1:1

Partner (Energy Data (MCS))

butane-2,3-dione mono-oxime

Hankare, P. P.; Chavan, M. B.; Manikshete, A. H.; Rampure, R. S.; Deshmukh, L. P.; Journal of the Indian Chemical Society; vol. 70; nb. 1; (1993); p. 70 - 71, View in Reaxys 3 of 4

Description (Energy Data (MCS))

Entropy of mixtures

Solvent (Energy Data (MCS))

ethanol; H2O

Temperature (Energy Data (MCS)) [°C]

30 - 50

Comment (Energy Data (MCS))

Ratio of solvents: 1:1

Partner (Energy Data (MCS))

butane-2,3-dione mono-oxime

Hankare, P. P.; Chavan, M. B.; Manikshete, A. H.; Rampure, R. S.; Deshmukh, L. P.; Journal of the Indian Chemical Society; vol. 70; nb. 1; (1993); p. 70 - 71, View in Reaxys 4 of 4

Description (Energy Data (MCS))

Enthalpy of solution

Larsen; Magid; Journal of Physical Chemistry; vol. 78; (1974); p. 834,836, View in Reaxys Enthalpies of Other Phase Transitions (1) References Arnold; Jones; Molecular Crystals; vol. 19; (1972); p. 133,135,136,138,140, View in Reaxys Enthalpy of Combustion (1) References Lebedeva et al.; Russian Journal of Physical Chemistry; vol. 45; (1971); p. 561; ; p. 999, View in Reaxys; Nabavian et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 74; (1977); p. 115,120,124, View in Reaxys Enthalpy of Formation (1) References Lebedeva et al.; Russian Journal of Physical Chemistry; vol. 45; (1971); p. 561; ; p. 999, View in Reaxys; Nabavian et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 74; (1977); p. 115,120,124, View in Reaxys Enthalpy of Fusion (5) Enthalpy of Fusion Comment (Enthal[Jmol-1] py of Fusion)

References

Enthalpy of melting Bag, Partha Pratim; Reddy, C. Malla; Crystal Growth and Design; vol. 12; nb. 6; (2012); p. given 2740 - 2743, View in Reaxys Arnold; Jones; Molecular Crystals; vol. 19; (1972); p. 133,135,136,138,140, View in Reaxys; Lebedeva et al.; Russian Journal of Physical Chemistry; vol. 45; (1971); p. 561; ; p. 999, View in Reaxys; Martin et al.; Journal of Pharmaceutical Sciences; vol. 68; (1979); p. 565,566, View in Reaxys 19929.1

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,136, 137, View in Reaxys

22252.8

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,136, 137, View in Reaxys

20389.7

Andrews; Lynn; Johnston; Journal of the American Chemical Society; vol. 48; (1926); p. 1286, View in Reaxys

Enthalpy of Sublimation (1) References De Kruif et al.; Journal of Chemical Thermodynamics; vol. 11; (1979); p. 651,654, 655, View in Reaxys; Sabbah et al.; Canadian Journal of Chemistry; vol. 52; (1974); p. 2201, View in Reaxys Further Information (68) Description (FurReferences ther Information)

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behaviour as inhibi- Ranjana; Banerjee, Ranu; Nandi; Journal of the Indian Chemical Society; vol. 89; nb. 2; (2012); p. 229 - 238, tor View in Reaxys Further information Poonia; Journal of the Indian Chemical Society; vol. 56; (1979); p. 22,23, View in Reaxys Further information Ikeda et al.; Chemical and Pharmaceutical Bulletin; vol. 27; (1979); p. 80,84, View in Reaxys Further information Yoshida; Samejima; Yakugaku Zasshi; vol. 98; (1978); p. 537,538, View in Reaxys Further information Eddy et al.; Canadian Journal of Chemistry; vol. 56; (1978); p. 1616, View in Reaxys Further information Wildes; White; Journal of the American Chemical Society; vol. 32; (1976); p. 2610,2616, View in Reaxys Further information Yoshida; Sawada; Bulletin of the Chemical Society of Japan; vol. 49; (1976); p. 3319, View in Reaxys Further information Rajeshwar; Secco; Canadian Journal of Chemistry; vol. 54; (1976); p. 2509, View in Reaxys Further information Satpathy; Patnaik; Journal of the Indian Chemical Society; vol. 52; (1975); p. 1012, View in Reaxys Further information D'Ascenzo et al.; Thermochimica Acta; vol. 13; (1975); p. 461,464, View in Reaxys Further information Maquestian et al.; Organic Mass Spectrometry; vol. 9; (1974); p. 149, View in Reaxys Further information Singh; Boparai; Indian Journal of Applied Chemistry; vol. 34; (1971); p. 83,86, View in Reaxys Further information Theoret; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 27; (1971); p. 11,16, View in Reaxys Further information Mentre; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 272; (1971); p. 157, View in Reaxys Further information Berlman; Handbook of Fluorescence Spectra of Aromatic Molecules (2.Aufl.); (1971); p. 167, View in Reaxys Further information Marhan; Arient; Collection of Czechoslovak Chemical Communications; vol. 35; (1970); p. 737, View in Reaxys Further information Yagi et al.; Journal of Biochemistry (Tokyo, Japan); vol. 68; (1970); p. 293,295, View in Reaxys Further information Steigman et al.; Journal of Physical Chemistry; vol. 74; (1970); p. 3117,3121, View in Reaxys Further information Prager; Thredgold; Australian Journal of Chemistry; vol. 22; (1969); p. 2627,2633, View in Reaxys Further information Banerjee et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 2536,2538, View in Reaxys Further information Lindenberg; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 364; (1969); p. 20, View in Reaxys Further information Zamarlik; Annales de Chimie (Cachan, France); vol. 4; nb. 14; (1969); p. 497,508, View in Reaxys Further information Dunn; McDonald; Canadian Journal of Chemistry; vol. 47; (1969); p. 4577, View in Reaxys Further information Sharshakova; Zhuravlev; J. Gen. Chem. USSR (Engl. Transl.); vol. 39; (1969); p. 1899,1864, View in Reaxys Further information Mentre et al.; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 269; (1969); p. 1583, View in Reaxys Further information Kleinerman; Journal of Chemical Physics; vol. 51; (1969); p. 2370,2373, View in Reaxys Further information Kemula et al.; Roczniki Chemii; vol. 43; nb. 7-8; (1969); p. 1555, View in Reaxys Further information Moriguchi et al.; Chemical and Pharmaceutical Bulletin; vol. 17; nb. 7; (1969); p. 1339, View in Reaxys Further information Doleschall,G.; Lempert,K.; Tetrahedron; vol. 25; (1969); p. 2539 - 2547, View in Reaxys Further information Legadi; Acta Chimica Academiae Scientiarum Hungaricae; vol. 58; (1968); p. 1, View in Reaxys Further information Elkana et al.; Journal of Chemical Physics; vol. 48; (1968); p. 2399,2401, View in Reaxys Further information Komarova; Korovinka; Russian Journal of Physical Chemistry; vol. 42; (1968); p. 61; ; p. 123, View in Reaxys Further information Khan; Srivastava; Indian Journal of Pure and Applied Physics; vol. 6; (1968); p. 166, View in Reaxys Further information Capuano,L.; Zander,M.; Justus Liebigs Annalen der Chemie; vol. 712; (1968); p. 73 - 78, View in Reaxys Further information Prasad; Trivedi; Journal of the Indian Chemical Society; vol. 44; (1967); p. 1073,1075, View in Reaxys Further information Issleib,K.; Kuemmel,R.; Chemische Berichte; vol. 100; (1967); p. 3331 - 3342, View in Reaxys Further information Silber; Swinehart; Journal of Physical Chemistry; vol. 71; (1967); p. 4344,4346, View in Reaxys Further information Bassl et al.; Journal fuer Praktische Chemie (Leipzig); vol. 36; (1967); p. 265, View in Reaxys Further information Ueda; Chemical and Pharmaceutical Bulletin; vol. 14; (1966); p. 22,30, View in Reaxys

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Further information Wan; Journal of Pharmaceutical Sciences; vol. 55; (1966); p. 1395,1397, View in Reaxys Further information Decker; Frye; Z. Naturforsch., B: Anorg. Chem., Org. Chem., Biochem., Biophys.,; vol. 21; (1966); p. 522, View in Reaxys Further information Blaug; Rich; Journal of Pharmaceutical Sciences; vol. 54; (1965); p. 30,31, View in Reaxys Further information Gavrilova; Sov. Phys. Crystallogr. (Engl. Transl.); vol. 10; (1965); p. 114,91, View in Reaxys Further information Patel; Foss; Journal of Pharmaceutical Sciences; vol. 54; (1965); p. 1495,1496, View in Reaxys Further information Kilpi; Lindell; Acta Chemica Scandinavica (1947-1973); vol. 19; (1965); p. 1420,1422, 1423-1426, View in Reaxys Further information Gröger; Erge; Floss; Zeitschrift für Naturforschung. Teil B: Chemie, Biochemie, Biophysik, Biologie; vol. 20; nb. 9; (1965); p. 856 - 858, View in Reaxys Further information Lempert; Doleschall; Monatshefte fuer Chemie; vol. 95; (1964); p. 950,958, View in Reaxys Further information Slifkin; Spectrochimica Acta; vol. 20; (1964); p. 1543,1548, View in Reaxys Further information Gore; Wheals; Analytica Chimica Acta; vol. 30; (1964); p. 34,36, View in Reaxys Further information Lasheen; Philosophical Transactions of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 256; (1964); p. 357,371, View in Reaxys Further information Lempert; Doleschall; Tetrahedron Letters; (1963); p. 781,782, View in Reaxys Further information Jart; Acta Polytechnica Scandinavica, Chemistry Including Metallurgy Series; vol. 24; (1963); p. 1,19,104, View in Reaxys Further information Davis; Mann; Journal of the Chemical Society; (1962); p. 945,953, View in Reaxys Further information Morgan; Aubert; Proceedings of the Chemical Society, London; (1962); p. 73, View in Reaxys Further information Patent; Praeger; Fuerst; DD20338; Chem.Abstr.; vol. 56; nb. 355; (1962), View in Reaxys Further information Bublitz et al.; Journal of the American Chemical Society; vol. 84; (1962); p. 1845,1846, View in Reaxys Further information Sawicki et al.; Analytical Chemistry; vol. 33; (1961); p. 722,723-725, View in Reaxys Further information Klosa; Journal fuer Praktische Chemie (Leipzig); vol. 14; (1961); p. 84, View in Reaxys Further information Suatoni et al.; Analytical Chemistry; vol. 33; (1961); p. 1894,1895, View in Reaxys Further information Cheeseman; Poller; Analyst (Cambridge, United Kingdom); vol. 86; (1961); p. 256; Chem.Abstr.; vol. 55; nb. 25720; (1961), View in Reaxys Further information Prasad; Krishnaiah; Journal of the Indian Chemical Society; vol. 38; (1961); p. 177, View in Reaxys Further information Charitonowa; Izvestiya Akademii Nauk Kirgizskoi SSR; vol. 2; nb. 5; (1960); p. 39,40-48; Chem.Abstr.; nb. 25879; (1961), View in Reaxys Further information Ferguson; Childers; Journal of Organic Chemistry; vol. 25; (1960); p. 1971,1974, View in Reaxys Further information Dearden; Forbes; Canadian Journal of Chemistry; vol. 38; (1960); p. 1837,1844, View in Reaxys Further information Hill; Curran; Journal of Physical Chemistry; vol. 64; (1960); p. 1519,1521, View in Reaxys Further information Krupatkin; J. Gen. Chem. USSR (Engl. Transl.); vol. 30; (1960); p. 1078,1095; Chem.Abstr.; nb. 23687; (1960), View in Reaxys Further information Lumme; Suomen Kemistilehti B; vol. 33; (1960); p. 69, View in Reaxys Further information Aylward et al.; Chemistry and Industry (London, United Kingdom); (1960); p. 560, View in Reaxys Heat Capacity Cp (2) Heat Capacity Cp Temperature (Heat [Jmol-1K-1] Capacity Cp) [°C]

References

165.8

25

Andrews; Lynn; Johnston; Journal of the American Chemical Society; vol. 48; (1926); p. 1286, View in Reaxys

259.58

146

Andrews; Lynn; Johnston; Journal of the American Chemical Society; vol. 48; (1926); p. 1286, View in Reaxys

Interatomic Distances and Angles (2) Description Comment (Interatomic Distances and Angles)

References

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Interatomic distances and angles

(Roentgen-DiaBoone et al.; Acta Crystallographica; vol. <B> 33; (1977); p. 3205, View in Reaxys gramm) der Modifikation II.

Interatomic distances and angles

(Roentgen-DiaBrown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engigramm) der Modifi- neering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys kation I.

Ionization Potential (1) References Slifkin; Allison; Nature (London, United Kingdom); vol. 215; (1967); p. 949, View in Reaxys Isoelectric Point pH (1) Isoelectric Point pH Solvent (Isoelectric Point pH) 3.4

H2O

References Hahn; Klockmann; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <A> 157; (1931); p. 209,212, View in Reaxys

Liquid Phase (2) Description (Liquid References Phase) Self-association in solution

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys

Association in the liquid state

Pawlowski; Roczniki Chemii; vol. 45; (1971); p. 63, View in Reaxys

Liquid/Liquid Systems (MCS) (23) 1 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Partner (Liquid/Liquid Systems (MCS))

ethyl acetate

Korenman; Konstantinova; Niftaliev; Russian Journal of Applied Chemistry; vol. 76; nb. 3; (2003); p. 500 - 502, View in Reaxys 2 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Partner (Liquid/Liquid Systems (MCS))

chloroform

Barril; Munoz; Luque; Orozco; Physical Chemistry Chemical Physics; vol. 2; nb. 21; (2000); p. 4897 - 4905, View in Reaxys 3 of 23

Description (Liquid/Liquid Solubility diagram Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

35 - 45

Partner (Liquid/Liquid Systems (MCS))

ethanol; carbon dioxide

Liu, Zhimin; Yang, Guanying; Ge, Lei; Han, Buxing; Journal of Chemical and Engineering Data; vol. 45; nb. 6; (2000); p. 1179 - 1181, View in Reaxys 4 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

24.9

Partner (Liquid/Liquid Systems (MCS))

1.) water; 2.) n-butanol

Korenman; Niftaliev; Novikova; Russian Journal of Physical Chemistry A; vol. 72; nb. 5; (1998); p. 755 - 758, View in Reaxys 5 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

36.85

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Partner (Liquid/Liquid Systems (MCS))

n-octanol/water

Sobczak, Halina; Pawlaczyk, Jan; Acta Poloniae Pharmaceutica - Drug Research; vol. 55; nb. 4; (1998); p. 279 - 283, View in Reaxys 6 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

25

Partner (Liquid/Liquid Systems (MCS))

1-octanol/water

Da, Yong-Zhong; Ito, Katsuhiko; Fujiwara, Hideaki; Journal of Medicinal Chemistry; vol. 35; nb. 18; (1992); p. 3382 - 3387, View in Reaxys 7 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

25

Partner (Liquid/Liquid Systems (MCS))

chloroform; 0.1 M aq. NaClO4

Hasegawa, Yuko; Morita, Yoko; Hase, Masako; Nagata, Mayumi; Bulletin of the Chemical Society of Japan; vol. 62; nb. 5; (1989); p. 1486 - 1491, View in Reaxys 8 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Partner (Liquid/Liquid Systems (MCS))

dihexyl sulphoxide; tetrachloromethane; H2O

Denisenko, Yu. I.; Egutkin, N. L.; Nikitin, Yu. E.; Russian Journal of Physical Chemistry; vol. 58; nb. 9; (1984); p. 1427 1430; Zhurnal Fizicheskoi Khimii; vol. 58; nb. 9; (1984); p. 2346 - 2349, View in Reaxys 9 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

CCl4; H2O

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

20

Partner (Liquid/Liquid Systems (MCS))

dipentyl sulphoxide; other concentration of DPSO in CCl4, pH = 7 - 12;

Egutkin, N. L.; Denisenko, Yu. I.; Nikitin, Yu. E.; Russian Journal of Physical Chemistry; vol. 55; nb. 4; (1981); p. 588 - 589; Zhurnal Fizicheskoi Khimii; vol. 55; (1981); p. 1049 - 1051, View in Reaxys 10 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O

Partner (Liquid/Liquid Systems (MCS))

hexane

Korenman, Ya. I.; Russian Journal of Physical Chemistry; vol. 54; nb. 2; (1980); p. 234 - 236; Zhurnal Fizicheskoi Khimii; vol. 54; nb. 2; (1980); p. 410 - 413, View in Reaxys 11 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O

Partner (Liquid/Liquid Systems (MCS))

benzene

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Korenman, Ya. I.; Russian Journal of Physical Chemistry; vol. 54; nb. 2; (1980); p. 234 - 236; Zhurnal Fizicheskoi Khimii; vol. 54; nb. 2; (1980); p. 410 - 413, View in Reaxys 12 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O

Partner (Liquid/Liquid Systems (MCS))

octanol

Korenman, Ya. I.; Russian Journal of Physical Chemistry; vol. 54; nb. 2; (1980); p. 234 - 236; Zhurnal Fizicheskoi Khimii; vol. 54; nb. 2; (1980); p. 410 - 413, View in Reaxys 13 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Sandell; Naturwissenschaften; vol. 53; (1966); p. 330, View in Reaxys; Pawlowski; Roczniki Chemii; vol. 45; (1971); p. 63, View in Reaxys

14 of 23

Description (Liquid/Liquid Solution equilibrium Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O; light petroleum

Krupatkin; Zhurnal Obshchei Khimii; vol. 28; (1958); p. 1108; engl. Ausg. S. 1075, View in Reaxys 15 of 23

Description (Liquid/Liquid Solution equilibrium Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O; phenol

Krupatkin; Zhurnal Obshchei Khimii; vol. 28; (1958); p. 823,827-829; engl. Ausg. S. 800, 803, 804, View in Reaxys 16 of 23

Description (Liquid/Liquid Solution equilibrium Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O; 2-hydroxy-benzoic acid

Krupatkin; Sb. Statei Obshch. Khim.; (1953); p. 1221,1222; Chem.Abstr.; (1955); p. 3636, View in Reaxys 17 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O; 2-methyl-propan-1-ol

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

20

Collander; Acta Chemica Scandinavica (1947-1973); vol. 4; (1950); p. 1085,1089, View in Reaxys 18 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

diethyl ether; H2O

Collander; Acta Chemica Scandinavica (1947-1973); vol. 3; (1949); p. 722, View in Reaxys 19 of 23

Description (Liquid/Liquid Temperature of separation Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O

Shurawlew; Uc. Zap. Molotovsk. Univ.; vol. 3; nb. 4; (1939); p. 47,49; Chem.Abstr.; (1943); p. 4617, View in Reaxys; Shurawlew; Bulletin of the Chemical Society of Japan; vol. 8; (1938); p. 1704,1706; Chem. Zentralbl.; vol. 111; nb. I; (1940); p. 1162, View in Reaxys 20 of 23

Description (Liquid/Liquid Solution equilibrium Systems (MCS))

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Partner (Liquid/Liquid Systems (MCS))

pyridine; water

Shurawlew; Zhurnal Obshchei Khimii; vol. 8; (1938); p. 1704,1709; Chem. Zentralbl.; vol. 111; nb. I; (1940); p. 1162, View in Reaxys 21 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O; CHCl3

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

25

Smith; Journal of Physical Chemistry; vol. 25; (1921); p. 231; Journal of Physical Chemistry; vol. 26; (1922); p. 269,270, View in Reaxys; Smith; White; Journal of Physical Chemistry; vol. 33; (1929); p. 1967, View in Reaxys 22 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O; diethyl ether

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

25

Smith; Journal of Physical Chemistry; vol. 25; (1921); p. 622, View in Reaxys 23 of 23

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

glycerol; acetone

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

25

Smith; Journal of Physical Chemistry; vol. 25; (1921); p. 732, View in Reaxys Liquid/Solid Systems (MCS) (13) 1 of 13

Description (Liquid/Solid Systems (MCS))

Melting points

Partner (Liquid/Solid Systems (MCS))

nonporous glass beads

Ha, Jeong-Myeong; Wolf, Johanna H.; Hillmyer, Marc A.; Ward, Michael D.; Journal of the American Chemical Society; vol. 126; nb. 11; (2004); p. 3382 - 3383, View in Reaxys 2 of 13

Description (Liquid/Solid Systems (MCS))

Liquid/solid phase diagram

Temperature (Liquid/Solid Systems (MCS)) [°C]

35 - 75

Partner (Liquid/Solid Systems (MCS))

methanol; H2O

Niazi; Mahmood; Journal of Chemical and Engineering Data; vol. 38; nb. 2; (1993); p. 282 - 284, View in Reaxys 3 of 13

Description (Liquid/Solid Systems (MCS))

Melting diagram

Rudenko; Mitrofanova; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 1370,1356, View in Reaxys 4 of 13

Description (Liquid/Solid Systems (MCS))

Solidification points of mixtures

Sekiguchi et al.; Chemical and Pharmaceutical Bulletin; vol. 11; (1963); p. 1108,1111, View in Reaxys 5 of 13

Description (Liquid/Solid Systems (MCS))

Liquid/solid phase diagram

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Solvent (Liquid/Solid Sys- light petroleum tems (MCS)) Krupatkin; Zhurnal Obshchei Khimii; vol. 28; (1958); p. 1108; engl. Ausg. S. 1075, View in Reaxys 6 of 13

Description (Liquid/Solid Systems (MCS))

Liquid/solid phase diagram

Solvent (Liquid/Solid Sys- 1,2-diamino-ethane tems (MCS)) Dionis'ew; Magak'jan; Uc. Zap. Rostovsk. Univ.; vol. 41; (1958); p. Nr, 9, S. 69, 77; Chem.Abstr.; (1961); p. 6366, View in Reaxys 7 of 13

Description (Liquid/Solid Systems (MCS))

Liquid/solid phase diagram

Glusman; Zhurnal Fizicheskoi Khimii; vol. 32; (1958); p. 388,392; Chem.Abstr.; (1958); p. 16856, View in Reaxys 8 of 13

Description (Liquid/Solid Systems (MCS))

Liquid/solid phase diagram

Solvent (Liquid/Solid Sys- acetamide tems (MCS)) Dshelomanowa et al.; Zhurnal Obshchei Khimii; vol. 26; (1956); p. 1322; engl. Ausg. S. 1493, View in Reaxys 9 of 13

Description (Liquid/Solid Systems (MCS))

Liquid/solid phase diagram

Solvent (Liquid/Solid Sys- pyridine tems (MCS)) Shurawlew; Zhurnal Obshchei Khimii; vol. 8; (1938); p. 1704,1709; Chem. Zentralbl.; vol. 111; nb. I; (1940); p. 1162, View in Reaxys; Shurawlew; Uc. Zap. Molotovsk. Univ.; vol. 3; nb. 4; p. 50, View in Reaxys; Dionis'ew; Uc. Zap. Rostovsk. Univ.; vol. 25; (1955); p. Nr, 7, S. 3, 7, 9; Chem.Abstr.; (1958); p. 9114, View in Reaxys 10 of 13

Description (Liquid/Solid Systems (MCS))

Liquid/solid phase diagram

Solvent (Liquid/Solid Sys- 2-hydroxy-benzoic acid tems (MCS)) Krupatkin; Sb. Statei Obshch. Khim.; (1953); p. 1221,1222; Chem.Abstr.; (1955); p. 3636, View in Reaxys 11 of 13

Description (Liquid/Solid Systems (MCS))

Liquid/solid phase diagram

Solvent (Liquid/Solid Sys- H2O tems (MCS)) Shurawlew; Uc. Zap. Molotovsk. Univ.; vol. 3; nb. 4; (1939); p. 47,49; Chem.Abstr.; (1943); p. 4617, View in Reaxys 12 of 13

Description (Liquid/Solid Systems (MCS))

Melting diagram

Comment (Liquid/Solid Systems (MCS))

Additionsverbindung 2C7H7NO2+C6H10N2O2 vom F: 120-122grad.

Partner (Liquid/Solid Systems (MCS))

sarcosine anhydride

Pfeiffer; Angern; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 143; (1925); p. 270, View in Reaxys; Pfeiffer; Angern; Wang; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 164; (1927); p. 191,205, View in Reaxys 13 of 13

Description (Liquid/Solid Systems (MCS))

Melting diagram

Partner (Liquid/Solid Systems (MCS))

benzoic acid

Vitale; Atti X. Congr. int. Chim. Rom 1938; vol. Bd.; p. 3,S. 380, 387, View in Reaxys Liquid/Vapour Systems (MCS) (2) 1 of 2

Description (Liquid/ Vapour Systems (MCS))

Boiling points of mixtures

Comment (Liquid/Vapour Systems (MCS))

diagram

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Partner (Liquid/Vapour Systems (MCS))

HF

Murlyshev; Kobzar'; Lazarchuk; Tomash; Krupin; Filimonov; Zherin; Gordienko; Gerasimenko; Russian Journal of Applied Chemistry; vol. 76; nb. 6; (2003); p. 879 - 883, View in Reaxys 2 of 2

Description (Liquid/ Vapour Systems (MCS))

Vapour pressure

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

0 - 90

Partner (Liquid/Vapour Systems (MCS))

HF

Murlyshev; Kobzar'; Lazarchuk; Tomash; Krupin; Filimonov; Zherin; Gordienko; Gerasimenko; Russian Journal of Applied Chemistry; vol. 76; nb. 6; (2003); p. 879 - 883, View in Reaxys Magnetic Susceptibility (1) Magnetic Suscepti- References bility [10-6cm3mol-1] -77.2

Khanolkar; Current Science; vol. 27; (1958); p. 296, View in Reaxys

Mechanical & Physical Properties (MCS) (5) 1 of 5

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Pressure (Mechanical & Physical Properties (MCS)) [Torr]

225018

Comment (Mechanical & Physical Properties (MCS))

temperature dependence. Object(s) of Study: diagram

Partner (Mechanical & Physical Properties (MCS))

H2O

Hyncica, Pavel; Hnedkovsky, Lubomir; Cibulka, Ivan; Journal of Chemical Thermodynamics; vol. 34; nb. 6; (2002); p. 861 873, View in Reaxys 2 of 5

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25 - 225

Pressure (Mechanical & Physical Properties (MCS)) [Torr]

750.06 - 22501.8

Partner (Mechanical & Physical Properties (MCS))

H2O

Hyncica, Pavel; Hnedkovsky, Lubomir; Cibulka, Ivan; Journal of Chemical Thermodynamics; vol. 34; nb. 6; (2002); p. 861 873, View in Reaxys 3 of 5

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25 - 225

Pressure (Mechanical & Physical Properties (MCS)) [Torr]

225018

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Partner (Mechanical & Physical Properties (MCS))

H2O

Hyncica, Pavel; Hnedkovsky, Lubomir; Cibulka, Ivan; Journal of Chemical Thermodynamics; vol. 34; nb. 6; (2002); p. 861 873, View in Reaxys 4 of 5

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Comment (Mechanical & Physical Properties (MCS))

temperature dependence. Object(s) of Study: diagram. Object(s) of Study: low pressure

Partner (Mechanical & Physical Properties (MCS))

H2O

Hyncica, Pavel; Hnedkovsky, Lubomir; Cibulka, Ivan; Journal of Chemical Thermodynamics; vol. 34; nb. 6; (2002); p. 861 873, View in Reaxys 5 of 5

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25

Partner (Mechanical & Physical Properties (MCS))

H2O

Seal, B. K.; Chatterjee, D. K.; Mandal, P. K.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 21; nb. 5; (1982); p. 509 - 511, View in Reaxys Mechanical Properties (2) Description (MeReferences chanical Properties) PVT Relationship

De Kruif et al.; Journal of Chemical Thermodynamics; vol. 11; (1979); p. 651,654, 655, View in Reaxys

Viscosity

Seal et al.; Journal of the Indian Chemical Society; vol. 56; (1979); p. 1196, View in Reaxys

Molecular Deformation (1) Description (MoReferences lecular Deformation) Force constants

Maslennikova; Shemyakin; Russian Journal of Physical Chemistry; vol. 46; (1972); p. 1105; ; p. 1921, View in Reaxys

Optics (2) Description (Optics)

References

Electric birefringence (Kerr effect)

Kondrashina, Yu. G.; Vul'fson, S. G.; Timosheva, A. P.; Russian Chemical Bulletin; vol. 43; nb. 5; (1994); p. 803 805; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 5; (1994); p. 859 - 861, View in Reaxys

Optical properties

Rudenko; Mitrofanova; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 1370,1356, View in Reaxys

Other Thermochemical Data (4) Description (Other References Thermochemical Data) Entropy

Dunken; Rudakoff; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 1; (1961); p. 54, View in Reaxys; Clark; Journal of Physical Chemistry; vol. 67; (1963); p. 138,139, View in Reaxys; Dash; Thermochimica Acta; vol. 17; (1976); p. 147,151,152, View in Reaxys; Dash; Thermochimica Acta; vol. 32; (1979); p. 33,34, View in Reaxys; Arnold; Jones; Molecular Crystals; vol. 19; (1972); p. 133,135,136,138,140, View in Reaxys; Martin et al.; Journal of Pharmaceutical Sciences; vol. 68; (1979); p. 565,566, View in Reaxys; Yalkowsky; Valvani; Journal of Pharmaceutical Sciences; vol. 69; nb. 8; (1980); p. 912 - 922, View in Reaxys

Enthalpy

Dunken; Rudakoff; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 1; (1961); p. 54, View in Reaxys; Clark; Journal of Physical Chemistry; vol. 67; (1963); p. 138,139, View in Reaxys; Dash; Thermochimica Acta; vol. 17; (1976); p. 147,151,152, View in Reaxys; Dash; Thermochimica Acta; vol. 32; (1979); p. 33,34, View in Reaxys

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Thermodynamic properties

White; Slutsky; Journal of Physical Chemistry; vol. 76; (1972); p. 1327, View in Reaxys; Dash et al.; Thermochimica Acta; vol. 34; (1979); p. 177,179, View in Reaxys; Stevenson; Journal of Molecular Spectroscopy; vol. 15; (1965); p. 220,232, View in Reaxys; Saraswat; Tripathi; Bulletin of the Chemical Society of Japan; vol. 38; nb. 9; (1965); p. 1555 - 1557, View in Reaxys

Enthalpy of self-as- Dunken; Rudakoff; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 1; (1961); p. 26, View in Reaxys; Dunken; Rusociation dakoff; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 1; (1961); p. 54, View in Reaxys Partition octan-1-ol/water (MCS) (1) 1 of 1

log POW

1.2

Thomae, Anita V.; Koch, Tamara; Panse, Christian; Wunderli-Allenspach, Heidi; Kraemer, Stefanie D.; Pharmaceutical Research; vol. 24; nb. 8; (2007); p. 1457 - 1472, View in Reaxys Self-diffusion (1) References Sharma; Kalia; Journal of Chemical and Engineering Data; vol. 22; (1977); p. 39, View in Reaxys Solubility (MCS) (34) 1 of 34

Solubility [g·l-1]

207

Temperature (Solubility (MCS)) [°C]

30

Solvent (Solubility (MCS))

ethanol

Jiang, Shanfeng; Jansens, Pieter J.; Ter Horst, Joop H.; Crystal Growth and Design; vol. 10; nb. 6; (2010); p. 2541 - 2547, View in Reaxys 2 of 34

Solubility [g·l-1]

369

Temperature (Solubility (MCS)) [°C]

50

Solvent (Solubility (MCS))

ethanol

Jiang, Shanfeng; Jansens, Pieter J.; Ter Horst, Joop H.; Crystal Growth and Design; vol. 10; nb. 6; (2010); p. 2541 - 2547, View in Reaxys 3 of 34

Saturation

in pure solvent

Yalkowsky; Valvani; Journal of Pharmaceutical Sciences; vol. 69; nb. 8; (1980); p. 912 - 922, View in Reaxys 4 of 34

Comment (Solubility (MCS))

in W.

Nogami et al.; Chemical and Pharmaceutical Bulletin; vol. 14; (1966); p. 351,352, View in Reaxys 5 of 34

Comment (Solubility (MCS))

in Tetramethylharnstoff

Luettringhaus,A.; Dirksen,H.-W.; Angewandte Chemie; vol. 75; (1963); p. 1059 - 1068, View in Reaxys 6 of 34

Temperature (Solubility (MCS)) [°C]

25

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.0373 Mol solvent dissolves. 1 l Substance.

Poole; Higuchi; Journal of the American Pharmaceutical Association (1912-1977); vol. 48; (1959); p. 592,594, View in Reaxys 7 of 34

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

at:20-145 degreeC.

Wolkow; Uc. Zap. Permsk. Univ.; vol. 13; (1959); p. 73; Chem.Abstr.; vol. 56; (1962); p. 14992, View in Reaxys 8 of 34

Solvent (Solubility (MCS))

benzene

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Comment (Solubility (MCS))

at:20-145 degreeC.

Wolkow; Uc. Zap. Permsk. Univ.; vol. 13; (1959); p. 73; Chem.Abstr.; vol. 56; (1962); p. 14992, View in Reaxys 9 of 34

Solvent (Solubility (MCS))

toluene

Comment (Solubility (MCS))

at:20-145 degreeC.

Wolkow; Uc. Zap. Permsk. Univ.; vol. 13; (1959); p. 73; Chem.Abstr.; vol. 56; (1962); p. 14992, View in Reaxys 10 of 34

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

at:20-145 degreeC.

Wolkow; Uc. Zap. Permsk. Univ.; vol. 13; (1959); p. 73; Chem.Abstr.; vol. 56; (1962); p. 14992, View in Reaxys 11 of 34

Temperature (Solubility (MCS)) [°C]

24.5

Solvent (Solubility (MCS))

aq. ethanol

Pariaud; Bulletin de la Societe Chimique de France; (1954); p. 1104, View in Reaxys 12 of 34

Temperature (Solubility (MCS)) [°C]

24.5

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.0337 Mol solvent dissolves. 1 l Substance.

Pariaud; Bulletin de la Societe Chimique de France; (1954); p. 1104, View in Reaxys 13 of 34

Solubility [g·l-1]

5.87

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

32

Solvent (Solubility (MCS))

H2O

Brintzinger; Beier; Kolloid-Zeitschrift; vol. 64; (1933); p. 160,169, View in Reaxys 14 of 34

Temperature (Solubility (MCS)) [°C]

25

Solvent (Solubility (MCS))

benzene

Comment (Solubility (MCS))

Solubility :0.81 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 15 of 34

Temperature (Solubility (MCS)) [°C]

135.2

Solvent (Solubility (MCS))

benzene

Comment (Solubility (MCS))

Solubility :80.64 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 16 of 34

Temperature (Solubility (MCS)) [°C]

25

Solvent (Solubility (MCS))

ethanol

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Comment (Solubility (MCS))

Solubility :7.75 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 17 of 34

Temperature (Solubility (MCS)) [°C]

125.5

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility :73.92 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 18 of 34

Temperature (Solubility (MCS)) [°C]

25

Solvent (Solubility (MCS))

CHCl3

Comment (Solubility (MCS))

Solubility :1.57 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 19 of 34

Temperature (Solubility (MCS)) [°C]

110.8

Solvent (Solubility (MCS))

CHCl3

Comment (Solubility (MCS))

Solubility :43.14 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 20 of 34

Temperature (Solubility (MCS)) [°C]

25

Solvent (Solubility (MCS))

ethyl acetate

Comment (Solubility (MCS))

Solubility :14.71 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 21 of 34

Temperature (Solubility (MCS)) [°C]

120.8

Solvent (Solubility (MCS))

ethyl acetate

Comment (Solubility (MCS))

Solubility :65.03 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 22 of 34

Temperature (Solubility (MCS)) [°C]

25

Solvent (Solubility (MCS))

methanol

Comment (Solubility (MCS))

Solubility :7.62 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 23 of 34

Temperature (Solubility (MCS)) [°C]

77.1

Solvent (Solubility (MCS))

methanol

Comment (Solubility (MCS))

Solubility :25.92 percent.

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Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 24 of 34

Temperature (Solubility (MCS)) [°C]

80.1

Solvent (Solubility (MCS))

butan-1-ol

Comment (Solubility (MCS))

Solubility :26.80 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 25 of 34

Temperature (Solubility (MCS)) [°C]

104.6

Solvent (Solubility (MCS))

butan-1-ol

Comment (Solubility (MCS))

Solubility :44.86 percent.

Lazzell; Johnston; Journal of Physical Chemistry; vol. 32; (1928); p. 1333, View in Reaxys 26 of 34

Temperature (Solubility (MCS)) [°C]

25

Solvent (Solubility (MCS))

1-isopropyl-4-methyl-benzene

Comment (Solubility (MCS))

1000 g solvent dissolves. 7.5 g Substance.

Wheeler; Journal of the American Chemical Society; vol. 42; (1920); p. 1844, View in Reaxys 27 of 34

Solubility [g·l-1]

5.486

Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

25

Solvent (Solubility (MCS))

H2O

Beveridge; Pr. Roy. Soc. Edinburgh; vol. 29; p. 656; Chem. Zentralbl.; vol. 81; nb. I; (1910); p. 735, View in Reaxys 28 of 34

Solubility [g·l-1]

1.8

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

11.4

Solvent (Solubility (MCS))

benzene

Oechsner de Coninck; Annales de Chimie (Cachan, France); vol. <7> 4; (1895); p. 537,539, 540, View in Reaxys 29 of 34

Solubility [g·l-1]

2

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

10.9

Solvent (Solubility (MCS))

CS2

Oechsner de Coninck; Annales de Chimie (Cachan, France); vol. <7> 4; (1895); p. 537,539, 540, View in Reaxys 30 of 34

Solubility [g·l-1]

3.5

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

13.8

Solvent (Solubility (MCS))

H2O

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Oechsner de Coninck; Annales de Chimie (Cachan, France); vol. <7> 4; (1895); p. 537,539, 540, View in Reaxys 31 of 34

Solubility [g·l-1]

89.65

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

13.6

Solvent (Solubility (MCS))

acetic acid

Oechsner de Coninck; Annales de Chimie (Cachan, France); vol. <7> 4; (1895); p. 537,539, 540, View in Reaxys 32 of 34

Solubility [g·l-1]

107

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

9.6

Solvent (Solubility (MCS))

ethanol

Oechsner de Coninck; Annales de Chimie (Cachan, France); vol. <7> 4; (1895); p. 537,539, 540, View in Reaxys 33 of 34

Solubility [g·l-1]

116.899

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

10

Solvent (Solubility (MCS))

ethyl acetate

Oechsner de Coninck; Annales de Chimie (Cachan, France); vol. <7> 4; (1895); p. 537,539, 540, View in Reaxys 34 of 34

Solubility [g·l-1]

160.499

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

6.8

Solvent (Solubility (MCS))

diethyl ether

Oechsner de Coninck; Annales de Chimie (Cachan, France); vol. <7> 4; (1895); p. 537,539, 540, View in Reaxys Sound Properties (1) Description (Sound References Properties) Ultrasonic properties Space Group (5) Space Group

White; Slutsky; Journal of Physical Chemistry; vol. 76; (1972); p. 1327, View in Reaxys

Comment (Space Group)

References

Space group(s) giv- Jiang, Shanfeng; Jansens, Pieter J.; Ter Horst, Joop H.; Crystal Growth and Design; vol. 10; en nb. 6; (2010); p. 2541 - 2547, View in Reaxys 61

McCrone; Analytical Chemistry; vol. 21; (1949); p. 1016, View in Reaxys; Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys; Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys; Hardy, Gordon E.; Kaska, William C.; Chandra, B. P.; Zink, Jeffrey I.; Journal of the American Chemical Society; vol. 103; nb. 5; (1981); p. 1074 - 1079, View in Reaxys

14

Hardy, Gordon E.; Kaska, William C.; Chandra, B. P.; Zink, Jeffrey I.; Journal of the American Chemical Society; vol. 103; nb. 5; (1981); p. 1074 - 1079, View in Reaxys

62

Kitaigorodskii; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1948); p. 278,288; Structure Reports; vol. 11; (1947); p. 662; Chem.Abstr.; (1949); p. 930, View in Reaxys; McCrone; Analytical Chemistry; vol. 21; (1949); p. 1016, View in Reaxys; Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys; Brown; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 302; (1968); p. 185,186, View in Reaxys; Khan; Srivastava; Indian J. pure appl. Physics; vol.

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6; (1968); p. 166, View in Reaxys; Astbury; Yardley; Philosophical Transactions of the Royal Society of London; vol. <A> 224; (1924); p. 221,234, View in Reaxys 10

McCrone; Analytical Chemistry; vol. 21; (1949); p. 1016, View in Reaxys; Krishna Murti; Indian Journal of Physics (1926-1976); vol. 31; (1957); p. 611,617, View in Reaxys

Transition Point(s) of Crystalline Modification(s) (5) Temperature (Tran- Change of Modifi- References sition Point(s) of cation Crystalline Modification(s)) [°C] 80

From polymorph I to polycrystalline polymorph III

Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys

98

From polymorph I to polycrystalline polymorph III

Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys

-70.15

From II, orthorhombic to III, other

Ghoshal; Sarkar; Kastha; Molecular crystals and liquid crystals; vol. 91; nb. 1-2; (1983); p. 1 24, View in Reaxys

-146.15

From III, other to IV, other

Ghoshal; Sarkar; Kastha; Molecular crystals and liquid crystals; vol. 91; nb. 1-2; (1983); p. 1 24, View in Reaxys Arnold; Jones; Molecular Crystals; vol. 19; (1972); p. 133,135,136,138,140, View in Reaxys

Transition Point(s) of Liquid Modification(s) (2) Temperature (Tran- References sition Point(s) of Liquid Modification(s)) [°C] 74.1

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,135, 137, View in Reaxys

79.1

Arnold; Jones; Mol. Crystals; vol. 19; (1972); p. 133,135, 137, View in Reaxys

Transport Phenomena (MCS) (5) 1 of 5

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport Phenomena (MCS)) [°C]

24.84

Comment (Transport Phenomena (MCS))

diffusion coefficient = 4.793 m2/s

Partner (Transport Phenomena (MCS))

η-cyclodextrin

Chaudhari, Sachin R.; Srinivasa; Suryaprakash; Journal of Molecular Structure; vol. 1033; (2013); p. 75 - 78, View in Reaxys 2 of 5

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport Phenomena (MCS)) [°C]

24.84

Comment (Transport Phenomena (MCS))

diffusion coefficient = 5.52 m2/s

Partner (Transport Phenomena (MCS))

alpha cyclodextrin

Chaudhari, Sachin R.; Srinivasa; Suryaprakash; Journal of Molecular Structure; vol. 1033; (2013); p. 75 - 78, View in Reaxys 3 of 5

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

25

Partner (Transport Phenomena (MCS))

H2O

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Seal, B. K.; Chatterjee, D. K.; Mandal, P. K.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 21; nb. 5; (1982); p. 509 - 511, View in Reaxys 4 of 5

Description (Transport Phenomena (MCS))

Diffusion

Sharma; Kalia; Chemistry and Industry (London, United Kingdom); (1975); p. 883, View in Reaxys 5 of 5

Description (Transport Phenomena (MCS))

Diffusion

Solvent (Transport Phenomena (MCS))

H2O

Temperature (Transport Phenomena (MCS)) [°C]

25

Longsworth; Journal of the American Chemical Society; vol. 75; (1953); p. 5705,5706, View in Reaxys NMR Spectroscopy (26) 1 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 500 scopy) [MHz] Gonzalez-Lopez De Turiso, Felix; Shin, Youngsook; Brown, Matthew; Cardozo, Mario; Chen, Yi; Fong, David; Hao, Xiaolin; He, Xiao; Henne, Kirk; Hu, Yi-Ling; Johnson, Michael G.; Kohn, Todd; Lohman, Julia; McBride, Helen J.; McGee, Lawrence R.; Medina, Julio C.; Metz, Daniela; Miner, Kent; Mohn, Deanna; Pattaropong, Vatee; Seganish, Jennifer; Simard, Jillian L.; Wannberg, Sharon; Whittington, Douglas A.; Yu, Gang; Cushing, Timothy D.; Journal of Medicinal Chemistry; vol. 55; nb. 17; (2012); p. 7667 - 7685, View in Reaxys 2 of 26

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 300 scopy) [MHz] Location

supporting information

Zhao, Haibo; Fu, Hua; Qiao, Renzhong; Journal of Organic Chemistry; vol. 75; nb. 10; (2010); p. 3311 - 3316, View in Reaxys 3 of 26

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 75 scopy) [MHz] Location

supporting information

Zhao, Haibo; Fu, Hua; Qiao, Renzhong; Journal of Organic Chemistry; vol. 75; nb. 10; (2010); p. 3311 - 3316, View in Reaxys 4 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

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Solvents (NMR Spectroscopy)

water-d2

Regulska; Samsonowicz; Swislocka; Lewandowski; Journal of Molecular Structure; vol. 936; nb. 1-3; (2009); p. 162 - 170, View in Reaxys 5 of 26

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

1H

Frequency (NMR Spectro- 300 scopy) [MHz] Guin, Debanjan; Baruwati, Babita; Manorama, Sunkara V.; Organic Letters; vol. 9; nb. 7; (2007); p. 1419 - 1421, View in Reaxys 6 of 26

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Guin, Debanjan; Baruwati, Babita; Manorama, Sunkara V.; Organic Letters; vol. 9; nb. 7; (2007); p. 1419 - 1421, View in Reaxys 7 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Guin, Debanjan; Baruwati, Babita; Manorama, Sunkara V.; Organic Letters; vol. 9; nb. 7; (2007); p. 1419 - 1421, View in Reaxys 8 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

D2O

Comment (NMR Spectroscopy)

ambient temperature

Samsonowicz; Hrynaszkiewicz; Swislocka; Regulska; Lewandowski; Journal of Molecular Structure; vol. 744-747; nb. SPEC. ISS.; (2005); p. 345 - 352, View in Reaxys 9 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

D2O

Comment (NMR Spectroscopy)

ambient temperature

Samsonowicz; Hrynaszkiewicz; Swislocka; Regulska; Lewandowski; Journal of Molecular Structure; vol. 744-747; nb. SPEC. ISS.; (2005); p. 345 - 352, View in Reaxys 10 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

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Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 300 scopy) [MHz] Srinivasan; Sawant, Sarvesh C.; Dhuri, Sunder N.; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 41; nb. 2; (2002); p. 290 - 296, View in Reaxys 11 of 26

Nucleus (NMR Spectroscopy)

1H

Coupling Nuclei

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 300 scopy) [MHz] Srinivasan; Sawant, Sarvesh C.; Dhuri, Sunder N.; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 41; nb. 2; (2002); p. 290 - 296, View in Reaxys 12 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 75 scopy) [MHz] Srinivasan; Sawant, Sarvesh C.; Dhuri, Sunder N.; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 41; nb. 2; (2002); p. 290 - 296, View in Reaxys 13 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 400 scopy) [MHz] Babu, C. V. Suresh; Divakar, S.; Journal of the American Oil Chemists' Society; vol. 78; nb. 1; (2001); p. 49 - 52, View in Reaxys 14 of 26

Nucleus (NMR Spectroscopy)

13C

Coupling Nuclei

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 15 scopy) [MHz] Osborne, Alan G.; Goolamali, Zia; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 56; nb. 6; (2000); p. 1079 - 1100, View in Reaxys 15 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 15 scopy) [MHz]

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Osborne, Alan G.; Goolamali, Zia; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 56; nb. 6; (2000); p. 1079 - 1100, View in Reaxys 16 of 26

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

D2O

Van Liemt; Beijersbergen Van Henegouwen; Van Rijn; Lugtenburg; Recueil des Travaux Chimiques des Pays-Bas-Journal of the Royal Netherlands; vol. 115; nb. 10; (1996); p. 431 - 437, View in Reaxys 17 of 26

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

D2O

Comment (NMR Spectroscopy)

1H-1H

Van Liemt; Beijersbergen Van Henegouwen; Van Rijn; Lugtenburg; Recueil des Travaux Chimiques des Pays-Bas-Journal of the Royal Netherlands; vol. 115; nb. 10; (1996); p. 431 - 437, View in Reaxys 18 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

CDCl3

Gross, Margaret L.; Blank, David H.; Welch, Willard M.; Journal of Organic Chemistry; vol. 58; nb. 8; (1993); p. 2104 2109, View in Reaxys; Sandhu, G. K.; Verma, S. P.; Moore, L. S.; Parish, R. V.; Journal of Organometallic Chemistry; vol. 321; (1987); p. 15 - 26, View in Reaxys 19 of 26

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

CDCl3

Comment (NMR Spectroscopy)

1H-1H

Gross, Margaret L.; Blank, David H.; Welch, Willard M.; Journal of Organic Chemistry; vol. 58; nb. 8; (1993); p. 2104 2109, View in Reaxys 20 of 26

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

1H

Jackson, Peter; Harris, Robin K.; Magnetic Resonance in Chemistry; vol. 26; (1988); p. 1003 - 1011, View in Reaxys 21 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

solid

Harris, Robin K.; Jackson, Peter; Merwin, Lawrence H.; Say, Barry J.; Haegele, Gerhard; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 84; nb. 11; (1988); p. 3649 - 3672, View in Reaxys 22 of 26

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

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Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Berger, Stefan; Tetrahedron; vol. 42; nb. 7; (1986); p. 2055 - 2062, View in Reaxys 23 of 26

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Comment (NMR Spectroscopy)

13C-13C.

Berger, Stefan; Tetrahedron; vol. 42; nb. 7; (1986); p. 2055 - 2062, View in Reaxys 24 of 26

Description (NMR Spectroscopy)

NMR

Wille,F. et al.; Monatshefte fuer Chemie; vol. 110; (1979); p. 613 - 638, View in Reaxys; Walborsky,H.M.; Ronman,P.; Journal of Organic Chemistry; vol. 43; nb. 4; (1978); p. 731 - 734, View in Reaxys; Westby; Barfknecht; Journal of Medicinal Chemistry; vol. 16; (1973); p. 40, View in Reaxys; Nagata et al.; Nippon Kagaku Kaishi; (1975); p. 2045,2046, View in Reaxys; Mishra; Gupta; Indian Journal of Pure and Applied Physics; vol. 15; (1977); p. 773, View in Reaxys; Misra et al.; Indian Journal of Pure and Applied Physics; vol. 14; (1976); p. 783, View in Reaxys; Evans et al.; Journal of Physical Chemistry; vol. 72; (1968); p. 2552, View in Reaxys; Levy et al.; Journal of Magnetic Resonance (1969-1992); vol. 29; (1978); p. 553,557, View in Reaxys; Filleux-Blanchard et al.; Organic Magnetic Resonance; vol. 5; (1973); p. 221,224, View in Reaxys; Matsuo et al.; Chemical and Pharmaceutical Bulletin; vol. 20; (1972); p. 990, View in Reaxys 25 of 26

Description (NMR Spectroscopy)

Chemical shifts

Comment (NMR Spectroscopy)

13C, in DMSO

Nagata et al.; Nippon Kagaku Kaishi; (1976); p. 1029,1030,1031, View in Reaxys 26 of 26

Description (NMR Spectroscopy)

Chemical shifts

Comment (NMR Spectroscopy)

chem. Verschiebung (DMSO)

Rae; Canadian Journal of Chemistry; vol. 46; (1968); p. 2589,2591, View in Reaxys IR Spectroscopy (32) 1 of 32

Description (IR Spectroscopy)

ATR (attenuated total reflectance); Spectrum

Location

supporting information

Wrobel, Lydia; Rüffer, Tobias; Korb, Marcus; Lang, Heinrich; Mehring, Michael; European Journal of Inorganic Chemistry; vol. 2017; nb. 6; (2017); p. 1032 - 1040, View in Reaxys 2 of 32

Description (IR Spectroscopy)

Bands

Josien et al.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 250; (1960); p. 1643, View in Reaxys; Haddadin, Makhluf J.; Nazer, Musa Z.; Heterocycles; vol. 53; nb. 10; (2000); p. 2221 - 2224, View in Reaxys; Pasha; Jayashankara; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 43; nb. 11; (2004); p. 2464 - 2466, View in Reaxys; Sharma, Varsha; Sagar, Priyanka; Rohit; Journal of the Indian Chemical Society; vol. 89; nb. 4; (2012); p. 463 - 469, View in Reaxys 3 of 32

Description (IR Spectroscopy)

Intensity of IR bands; Bands; Spectrum

Govindarajan; Ganasan; Periandy; Mohan; Tedlamelekot; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 79; nb. 5; (2011); p. 2003 - 2011, View in Reaxys 4 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Regulska; Samsonowicz; Swislocka; Lewandowski; Journal of Molecular Structure; vol. 936; nb. 1-3; (2009); p. 162 - 170, View in Reaxys 5 of 32

Description (IR Spectroscopy)

Bands

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Solvent (IR Spectroscopy)

CCl4

Fiedler, Pavel; Boehm, Stanislav; Kulhanek, Jii; Exner, Otto; Organic and Biomolecular Chemistry; vol. 4; nb. 10; (2006); p. 2003 - 2011, View in Reaxys 6 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Flett; Journal of the Chemical Society; (1951); p. 962,965, View in Reaxys; Kellie et al.; Journal of Organic Chemistry; vol. 22; (1957); p. 29,32, View in Reaxys; Srinivasan; Sawant, Sarvesh C.; Dhuri, Sunder N.; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 41; nb. 2; (2002); p. 290 - 296, View in Reaxys; Samsonowicz; Hrynaszkiewicz; Swislocka; Regulska; Lewandowski; Journal of Molecular Structure; vol. 744-747; nb. SPEC. ISS.; (2005); p. 345 - 352, View in Reaxys; Fiedler, Pavel; Boehm, Stanislav; Kulhanek, Jii; Exner, Otto; Organic and Biomolecular Chemistry; vol. 4; nb. 10; (2006); p. 2003 - 2011, View in Reaxys 7 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

various solvent(s)

Fiedler, Pavel; Boehm, Stanislav; Kulhanek, Jii; Exner, Otto; Organic and Biomolecular Chemistry; vol. 4; nb. 10; (2006); p. 2003 - 2011, View in Reaxys 8 of 32

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

KBr

Samsonowicz; Hrynaszkiewicz; Swislocka; Regulska; Lewandowski; Journal of Molecular Structure; vol. 744-747; nb. SPEC. ISS.; (2005); p. 345 - 352, View in Reaxys 9 of 32

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

excited state

Southern, Cathrine A.; Levy, Donald H.; Florio, Gina M.; Longarte, Asier; Zwier, Timothy S.; Journal of Physical Chemistry A; vol. 107; nb. 20; (2003); p. 4032 - 4040, View in Reaxys 10 of 32

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

3600 - 3200 cm**(-1)

Carter, Phillip W.; Ward, Michael D.; Journal of the American Chemical Society; vol. 116; nb. 2; (1994); p. 769 - 770, View in Reaxys 11 of 32

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

3495 - 3474 cm**(-1)

Carter, Phillip W.; Ward, Michael D.; Journal of the American Chemical Society; vol. 116; nb. 2; (1994); p. 769 - 770, View in Reaxys 12 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

3473 - 1678 cm**(-1)

Guilbaud-Criqui, A.; Moinet, C.; Bulletin de la Societe Chimique de France; vol. 130; nb. 2; (1993); p. 164 - 172, View in Reaxys 13 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nujol

Comment (IR Spectroscopy)

3324 - 3240 cm**(-1)

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Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys 14 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nujol

Comment (IR Spectroscopy)

3474 - 3374 cm**(-1)

Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys 15 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nujol

Comment (IR Spectroscopy)

3492 - 3382 cm**(-1)

Ojala, William H.; Etter, Margaret C.; Journal of the American Chemical Society; vol. 114; nb. 26; (1992); p. 10288 - 10293, View in Reaxys 16 of 32

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

4000 - 500 cm**(-1)

Rzaczynska, Zofia; Brzyska, Wanda; Monatshefte fuer Chemie; vol. 120; (1989); p. 231 - 236, View in Reaxys 17 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

3513 - 3381 cm**(-1)

Denisov, G. S.; Kuzina, L. A.; Miller, A. O.; Smolyanskii, A. L.; Furin, G. G.; Journal of Applied Spectroscopy; vol. 51; nb. 2; (1989); p. 825 - 830; Zhurnal Prikladnoi Spektroskopii; vol. 51; nb. 2; (1989); p. 278 - 284, View in Reaxys 18 of 32

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

3500 - 1620 cm**(-1)

Chakraborty; Roy; Rakshit; Journal of the Indian Chemical Society; vol. 66; nb. 8-10; (1989); p. 699 - 702, View in Reaxys 19 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

3480 - 1295 cm**(-1)

Sandhu, G. K.; Verma, S. P.; Moore, L. S.; Parish, R. V.; Journal of Organometallic Chemistry; vol. 321; (1987); p. 15 - 26, View in Reaxys 20 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid

Comment (IR Spectroscopy)

1587 - 285 cm**(-1)

Sanchez, E. de la Blanca; Nunez, J. L.; Martinez, P.; Journal of Molecular Structure; vol. 142; (1986); p. 45 - 48, View in Reaxys 21 of 32

Description (IR Spectroscopy)

Bands

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Comment (IR Spectroscopy)

3490 - 3237 cm**(-1)

d'Avignon, Dana A.; Brown, Theodore L.; Journal of Physical Chemistry; vol. 85; nb. 26; (1981); p. 4073 - 4079, View in Reaxys 22 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nujol

Comment (IR Spectroscopy)

3500 - 1560 cm**(-1)

Roy, Shyamali; Chakraborty, A. K.; Chakraborty, D. P.; Journal of the Indian Chemical Society; vol. 58; (1981); p. 992 993, View in Reaxys 23 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

3470 - 750 cm**(-1)

Sekita; Yoshihira; Natori; Chemical and Pharmaceutical Bulletin; vol. 28; nb. 8; (1980); p. 2428 - 2435, View in Reaxys 24 of 32

Description (IR Spectroscopy)

IR

Walborsky,H.M.; Ronman,P.; Journal of Organic Chemistry; vol. 43; nb. 4; (1978); p. 731 - 734, View in Reaxys; Urseanu et al.; Revue Roumaine de Chimie; vol. 20; (1975); p. 107,108-112, View in Reaxys; Hamann; Linton; Australian Journal of Chemistry; vol. 29; (1976); p. 1825, View in Reaxys; Banerjee et al.; Journal of the Indian Chemical Society; vol. 53; (1976); p. 465,466, View in Reaxys; Hazard; Tallec; Bulletin de la Societe Chimique de France; (1976); p. 433,437, View in Reaxys; Spinner; Journal of the Chemical Society [Section] B: Physical Organic; (1967); p. 874,875,876, View in Reaxys; Urbanyi; Budavari; Journal of Pharmaceutical Sciences; vol. 58; (1969); p. 905,906, View in Reaxys; Yoshida; Sawada; Bulletin of the Chemical Society of Japan; vol. 49; (1976); p. 3319, View in Reaxys; Inomata; Moriwaki; Nippon Kagaku Zasshi; vol. 91; (1970); p. 819,825, View in Reaxys; Hill; Curran; Journal of Physical Chemistry; vol. 64; (1960); p. 1519,1521, View in Reaxys; Pande; Misra; Journal of the Indian Chemical Society; vol. 51; (1974); p. 835, View in Reaxys; Randall et al.; Infrared Determination of Organic Structures; (1949); p. 121, View in Reaxys; Hadzi; Premru; Bollettino Scientifico della Facolta di Chimica Industriale di Bologna; vol. 18; (1960); p. 148,150, View in Reaxys 25 of 32

Description (IR Spectroscopy)

Spectrum

Shephard; Thornton; Journal of Molecular Structure; vol. 16; (1973); p. 321,323, View in Reaxys; Decker; Frye; Z. Naturforsch., B: Anorg. Chem., Org. Chem., Biochem., Biophys.,; vol. 21; (1966); p. 522, View in Reaxys; Peltier; Pichevin; Bulletin de la Societe Chimique de France; (1960); p. 1141,1142, View in Reaxys; Theoret; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 27; (1971); p. 11,16, View in Reaxys; Tramer; Journal of Molecular Structure; vol. 4; (1969); p. 313,316,319,324, View in Reaxys 26 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

der monomeren und der binaer-assoziierten Saeure.

Peltier et al.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 248; (1959); p. 1148, View in Reaxys 27 of 32

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

1724 - 690 cm**(-1)

Baker; Journal of Physical Chemistry; vol. 61; (1957); p. 450,453, 454, View in Reaxys 28 of 32

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

nujol

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Comment (IR Spectroscopy)

1724 - 690 cm**(-1)

Baker; Journal of Physical Chemistry; vol. 61; (1957); p. 450,453, 454, View in Reaxys 29 of 32

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

KI

Comment (IR Spectroscopy)

1724 - 690 cm**(-1)

Baker; Journal of Physical Chemistry; vol. 61; (1957); p. 450,453, 454, View in Reaxys 30 of 32

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Flett; Journal of the Chemical Society; (1951); p. 962,965, View in Reaxys; Kellie et al.; Journal of Organic Chemistry; vol. 22; (1957); p. 29,32, View in Reaxys 31 of 32

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

dimethylformamide

Comment (IR Spectroscopy)

1429 - 667 cm**(-1)

Ebert; Gottlieb; Journal of the American Chemical Society; vol. 74; (1952); p. 2806,2809, View in Reaxys 32 of 32

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

nujol

Comment (IR Spectroscopy)

3333 - 667 cm**(-1); Modifikation I, II und III.

Ebert; Gottlieb; Journal of the American Chemical Society; vol. 74; (1952); p. 2806,2809, View in Reaxys Mass Spectrometry (18) Description (Mass Location Spectrometry) high resolution mass spectrometry (HRMS); electron impact (EI); fragmentation pattern; spectrum

Comment (Mass Spectrometry)

supporting information

References Han, Lei; Xing, Ping; Jiang, Biao; Organic Letters; vol. 16; nb. 13; (2014); p. 3428 - 3431, View in Reaxys

liquid chromatography mass spectrometry (LCMS); electrospray ionisation (ESI); spectrum

Gonzalez-Lopez De Turiso, Felix; Shin, Youngsook; Brown, Matthew; Cardozo, Mario; Chen, Yi; Fong, David; Hao, Xiaolin; He, Xiao; Henne, Kirk; Hu, Yi-Ling; Johnson, Michael G.; Kohn, Todd; Lohman, Julia; McBride, Helen J.; McGee, Lawrence R.; Medina, Julio C.; Metz, Daniela; Miner, Kent; Mohn, Deanna; Pattaropong, Vatee; Seganish, Jennifer; Simard, Jillian L.; Wannberg, Sharon; Whittington, Douglas A.; Yu, Gang; Cushing, Timothy D.; Journal of Medicinal Chemistry; vol. 55; nb. 17; (2012); p. 7667 - 7685, View in Reaxys

electrospray ionisa- supporting information (ESI); spection trum

Guo, Yong; Li, Wengang; Yan, Jingjing; Moosa, Basem; Amad, Ma'An; Werth, Charles J.; Khashab, Niveen M.; Chemistry - An Asian Journal; vol. 7; nb. 12; (2012); p. 2842 - 2847, View in Reaxys

ESI (Electrospray ionisation); Spectrum

Zhao, Haibo; Fu, Hua; Qiao, Renzhong; Journal of Organic Chemistry; vol. 75; nb. 10; (2010); p. 3311 - 3316, View in Reaxys

EI (Electron impact)

mol peak

spectrum; electron impact (EI)

Copyright © 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

Kamal, Ahmed; Shankaraiah; Markandeya; Reddy, Ch. Sanjeeva; Synlett; nb. 9; (2008); p. 1297 - 1300, View in Reaxys Aoki; Shinke; Nishira; Agricultural and Biological Chemistry; vol. 48; nb. 9; (1984); p. 2309 - 2313, View in Reaxys; Yang, Shu-Wei; Cordell, Geoffrey A.; Journal of Natural Products; vol. 60; nb. 1; (1997); p. 44 - 48, View in Reaxys; Vogna, Davide; Marotta, Raffaele; Andreozzi, Roberto;

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Napolitano, Alessandra; D'Ischia, Marco; Chemosphere; vol. 54; nb. 4; (2004); p. 497 - 505, View in Reaxys spectrum; chemical ionization (CI)

spectrum

Daishima, Shigeki; Iida, Yoshio; Kanda, Fujihiro; Organic Mass Spectrometry; vol. 26; nb. 5; (1991); p. 486 - 492, View in Reaxys; Tang; Isbell; Hodges; Brodbelt; Journal of Mass Spectrometry; vol. 30; nb. 7; (1995); p. 977 - 984, View in Reaxys collisional activation

Tang; Isbell; Hodges; Brodbelt; Journal of Mass Spectrometry; vol. 30; nb. 7; (1995); p. 977 - 984, View in Reaxys

positive secondary ions

Hand, Owen W.; Ranasinghe, Asoka; Cooks, R. Graham; Organic Mass Spectrometry; vol. 28; nb. 3; (1993); p. 176 - 184, View in Reaxys

spectrum

Bouchonnet, Stephane; Hoppilliard, Yannik; Maret, Agnes; Organic Mass Spectrometry; vol. 28; nb. 9; (1993); p. 963 - 969, View in Reaxys

spectrum

laser desorption

Karas, Michael; Ehring, Hanno; Nordhoff, Eckhard; Stahl, Bernd; Strupat, Kerstin; et al.; Organic Mass Spectrometry; vol. 28; nb. 12; (1993); p. 1476 - 1481, View in Reaxys

spectrum

FAB (fast atom bombardment)

Takayama, Mitsuo; Tanaka, Yoshiaki; Nomura, Taro; Organic Mass Spectrometry; vol. 28; nb. 12; (1993); p. 1529 - 1535, View in Reaxys

chemical ionization (CI); spectrum

Vairamani, M.; Srinivas, R.; Viswanadha Rao, G. K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 27; nb. 1-12; (1988); p. 264 - 265, View in Reaxys; Ranasinghe, Asoka; Cooks, R. Graham; Sethi, Satinder K.; Organic Mass Spectrometry; vol. 27; nb. 2; (1992); p. 77 - 88, View in Reaxys

electron impact (EI); spectrum

Ranasinghe, Asoka; Cooks, R. Graham; Sethi, Satinder K.; Organic Mass Spectrometry; vol. 27; nb. 2; (1992); p. 77 - 88, View in Reaxys

fragmentation pattern; electron impact (EI)

metastable ions

spectrum

MIKE (mass ion ki- Herbert, C. G.; Larka, E. A.; Beynon, J. H.; Organic Mass Spectrometry; netic energy) vol. 19; nb. 7; (1984); p. 306 - 310, View in Reaxys negative secondary ions; positive secondary ions; MIKE (mass ion kinetic energy)

Herbert, C. G.; Larka, E. A.; Beynon, J. H.; Organic Mass Spectrometry; vol. 19; nb. 7; (1984); p. 306 - 310, View in Reaxys

Liu, L. K.; Unger, S. E.; Cooks, R. G.; Tetrahedron; vol. 37; (1981); p. 1067 - 1073, View in Reaxys

Maquestian et al.; Organic Mass Spectrometry; vol. 9; (1974); p. 149, View in Reaxys; Gross et al.; Organic Mass Spectrometry; vol. 12; (1977); p. 258, View in Reaxys; Bowie; Australian Journal of Chemistry; vol. 26; (1973); p. 195,198, View in Reaxys; Ichikawa; Harrison; Organic Mass Spectrometry; vol. 13; (1978); p. 389,392, 395, View in Reaxys UV/VIS Spectroscopy (49) 1 of 49

Description (UV/VIS Spectroscopy)

Solvatochromism; Spectrum

Solvent (UV/VIS Spectroscopy)

water

Absorption Maxima (UV/ VIS) [nm]

310

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys 2 of 49

Description (UV/VIS Spectroscopy)

Solvatochromism; Spectrum

Solvent (UV/VIS Spectroscopy)

methanol

Absorption Maxima (UV/ VIS) [nm]

334

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys

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Description (UV/VIS Spectroscopy)

Solvatochromism; Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Absorption Maxima (UV/ VIS) [nm]

335

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys 4 of 49

Description (UV/VIS Spectroscopy)

Solvatochromism; Spectrum

Solvent (UV/VIS Spectroscopy)

acetonitrile

Absorption Maxima (UV/ VIS) [nm]

336

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys 5 of 49

Description (UV/VIS Spectroscopy)

Solvatochromism; Spectrum

Solvent (UV/VIS Spectroscopy)

1,4-dioxane

Absorption Maxima (UV/ VIS) [nm]

338

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys 6 of 49

Description (UV/VIS Spectroscopy)

Solvatochromism; Spectrum

Solvent (UV/VIS Spectroscopy)

cyclohexane

Absorption Maxima (UV/ VIS) [nm]

338

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys 7 of 49

Description (UV/VIS Spectroscopy)

Solvatochromism; Spectrum

Solvent (UV/VIS Spectroscopy)

dimethyl sulfoxide

Absorption Maxima (UV/ VIS) [nm]

341

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys 8 of 49

Description (UV/VIS Spectroscopy)

Solvatochromism; Spectrum

Solvent (UV/VIS Spectroscopy)

1,4-dioxane; water

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys 9 of 49

Description (UV/VIS Spectroscopy)

Band assignment

Absorption Maxima (UV/ VIS) [nm]

348.918

Sharma, Varsha; Sagar, Priyanka; Rohit; Journal of the Indian Chemical Society; vol. 89; nb. 4; (2012); p. 463 - 469, View in Reaxys

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Description (UV/VIS Spectroscopy)

Spectrum

Comment (UV/VIS Spectroscopy)

230 - 320 nm; Remark: solid and adsorbed on η-Fe2O3

Kuprin, V. P.; Shcherbakov, A. B.; Russian Journal of Physical Chemistry; vol. 64; nb. 5; (1990); p. 703 - 707; Zhurnal Fizicheskoi Khimii; vol. 64; (1990); p. 1324 - 1329, View in Reaxys 11 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethanol

Absorption Maxima (UV/ VIS) [nm]

245; 322

Ext./Abs. Coefficient [l·mol-1cm-1]

3631; 1585

Chakraborty; Roy; Rakshit; Journal of the Indian Chemical Society; vol. 66; nb. 8-10; (1989); p. 699 - 702, View in Reaxys 12 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

H2O

Absorption Maxima (UV/ VIS) [nm]

192; 215; 320

Ext./Abs. Coefficient [l·mol-1cm-1]

22650; 17870; 1908

Leal, J. M.; Garcia, B.; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 269; nb. 1; (1988); p. 26 - 32, View in Reaxys 13 of 49

Description (UV/VIS Spectroscopy)

Oscillator strength

Danilova; Morozova; Optics and Spectroscopy; vol. 12; (1962); p. 5; ; p. 12, View in Reaxys; Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys; Mukherjee, Samaresh; Bulletin of the Chemical Society of Japan; vol. 60; nb. 3; (1987); p. 1119 - 1124, View in Reaxys 14 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

cyclohexane

Comment (UV/VIS Spectroscopy)

300 - 400 nm

Mukherjee, Samaresh; Bulletin of the Chemical Society of Japan; vol. 60; nb. 3; (1987); p. 1119 - 1124, View in Reaxys 15 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

aq. acetic acid

Absorption Maxima (UV/ VIS) [nm]

435

Gupta, V. K.; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 267; nb. 1; (1986); p. 204 - 210, View in Reaxys 16 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

acetonitrile

Absorption Maxima (UV/ VIS) [nm]

298.2; 404.01; 441.39

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys

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Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

methanol

Absorption Maxima (UV/ VIS) [nm]

299.1; 405.72; 457.52

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys 18 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

H2O

Absorption Maxima (UV/ VIS) [nm]

305.62; 414.84; 460.93

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys 19 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

H2O

Absorption Maxima (UV/ VIS) [nm]

323.05; 419.25; 472.65

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys 20 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

H2O

Absorption Maxima (UV/ VIS) [nm]

370.15; 444.4; 484.08

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys 21 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

methylcyclohexane; cyclohexane

Absorption Maxima (UV/ VIS) [nm]

294.09; 404.01; 449.91

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys 22 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Absorption Maxima (UV/ VIS) [nm]

239; 310

Aoki; Shinke; Nishira; Agricultural and Biological Chemistry; vol. 48; nb. 9; (1984); p. 2309 - 2313, View in Reaxys 23 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethanol

Absorption Maxima (UV/ VIS) [nm]

221; 247; 335

Kunapuli, Satya P.; Vaidyanathan, C. S.; Phytochemistry (Elsevier); vol. 23; nb. 8; (1984); p. 1826 - 1827, View in Reaxys

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Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

H2O

Absorption Maxima (UV/ VIS) [nm]

255; 310

Sikorskaya; Ignatenko; Cherenkevich; Journal of applied chemistry of the USSR; vol. 57; nb. 9 pt 2; (1984); p. 1910 - 1914, View in Reaxys 25 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Comment (UV/VIS Spectroscopy)

220 - 380 nm

Kaltenbronn; Scherrer; Short; Jones; Beatty; Saka; Winder; Wax; Williamson; Arzneimittel-Forschung/Drug Research; vol. 33; nb. 4 A; (1983); p. 621 - 627, View in Reaxys 26 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethanol

Absorption Maxima (UV/ VIS) [nm]

245; 322; 318

Ext./Abs. Coefficient [l·mol-1cm-1]

3631; 1585; 1000

Roy, Shyamali; Chakraborty, A. K.; Chakraborty, D. P.; Journal of the Indian Chemical Society; vol. 58; (1981); p. 992 993, View in Reaxys 27 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

methanol

Absorption Maxima (UV/ VIS) [nm]

214; 246; 330

Ext./Abs. Coefficient [l·mol-1cm-1]

35481.1; 6457; 4169

Sekita; Yoshihira; Natori; Chemical and Pharmaceutical Bulletin; vol. 28; nb. 8; (1980); p. 2428 - 2435, View in Reaxys 28 of 49

Description (UV/VIS Spectroscopy)

UV/VIS

Poonia; Truter; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1972); p. 1791,1793, View in Reaxys; White et al.; Journal of Organic Chemistry; vol. 34; nb. 8; (1969); p. 2462, View in Reaxys; Schulman; Rosenberg; Sturgeon; Journal of Pharmaceutical Sciences; vol. 67; nb. 3; (1978); p. 334 - 337, View in Reaxys; Ramaswamy; O'Connor; Journal of the American Oil Chemists' Society; vol. 45; (1968); p. 841,844, View in Reaxys; Ikeda; Uekama; Otagiri; Hatano; Journal of pharmaceutical sciences; vol. 63; nb. 7; (1974); p. 1168 - 1169, View in Reaxys; Lee; Seliger; Photochemistry and Photobiology; vol. 11; (1970); p. 247,248, 250-254, View in Reaxys; Kuhn; Geider; Chemische Berichte; vol. 101; (1968); p. 3587, View in Reaxys 29 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Berlman; Chemical Physics Letters; vol. 3; (1969); p. 61, View in Reaxys; Tramer; Journal of Physical Chemistry; vol. 74; (1970); p. 887, View in Reaxys; Alexander; Lustigman; Journal of Agricultural and Food Chemistry; vol. 14; (1966); p. 410,411, View in Reaxys; Novoselova et al.; Russian Journal of Physical Chemistry; vol. 49; (1975); p. 1003; ; p. 1703, View in Reaxys; Ferguson; Childers; Journal of Organic Chemistry; vol. 25; (1960); p. 1971,1974, View in Reaxys; Elkana et al.; Journal of Chemical Physics; vol. 48; (1968); p. 2399,2401, View in Reaxys; Crandall; Olguin; Journal of Organic Chemistry; vol. 31; (1966); p. 972,973, View in Reaxys; Ismail'skii; Fedorow; Doklady Chemistry; vol. 158; (1964); p. 1017; Doklady Akademii Nauk SSSR; vol. 158; (1964); p. 900, View in Reaxys; Shackelford; Journal of Organic Chemistry; vol. 26; (1961); p. 4908,4910, View in Reaxys; Mataga; Bulletin of the Chemical Society of Japan; vol. 36; (1963); p. 654,656, View in Reaxys; Boroschin; Wlasow; J. Gen. Chem. USSR (Engl. Transl.); vol. 30; (1960); p. 3004,2976, View in Reaxys; Kaito et al.; Bulletin of the Chemical Society of Japan; vol. 49; (1976); p. 2207,2208,2210,2211, View in Reaxys; Berlman; Handbook of Fluores-

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cence Spectra of Aromatic Molecules (2.Aufl.); (1971); p. 167, View in Reaxys; Pavskii et al.; Russian Journal of Physical Chemistry; vol. 51; (1977); p. 1597; ; p. 2733, View in Reaxys 30 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Westby; Barfknecht; Journal of Medicinal Chemistry; vol. 16; (1973); p. 40, View in Reaxys; Kitaoka; Nakano; Journal of Biochemistry (Tokyo, Japan); vol. 66; (1969); p. 87,91, View in Reaxys; Zalewski; Dunn; Canadian Journal of Chemistry; vol. 46; (1968); p. 2469, View in Reaxys; Dearden; Forbes; Canadian Journal of Chemistry; vol. 38; (1960); p. 1837,1844, View in Reaxys; Hill; Curran; Journal of Physical Chemistry; vol. 64; (1960); p. 1519,1521, View in Reaxys; Deshpande; Rao; Indian Journal of Chemistry; vol. 7; (1969); p. 1051, View in Reaxys 31 of 49

Description (UV/VIS Spectroscopy)

Triplet-triplet band

Zhmyreva et al.; Optics and Spectroscopy; vol. 20; (1966); p. 162; ; p. 303, View in Reaxys 32 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

H2O (pH 7.7)

Absorption Maxima (UV/ VIS) [nm]

240; 310

Doy; Gibson; Biochemical Journal; vol. 72; (1959); p. 586,595, View in Reaxys 33 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethanol

Absorption Maxima (UV/ VIS) [nm]

248.5; 336

Doy; Gibson; Biochemical Journal; vol. 72; (1959); p. 586,595, View in Reaxys 34 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethyl acetate; ethanol

Absorption Maxima (UV/ VIS) [nm]

252.5; 336

Doy; Gibson; Biochemical Journal; vol. 72; (1959); p. 586,595, View in Reaxys 35 of 49

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethanol

Absorption Maxima (UV/ VIS) [nm]

247; 332

Forbes et al.; Canadian Journal of Chemistry; vol. 35; (1957); p. 1049,1051, View in Reaxys; Forbes; Leckie; Canadian Journal of Chemistry; vol. 36; (1958); p. 1371,1375, View in Reaxys 36 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O

Comment (UV/VIS Spectroscopy)

220 - 300 nm

Lumme; Suomen Kemistilehti B; vol. 30; (1957); p. 168,175, View in Reaxys 37 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O

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Comment (UV/VIS Spectroscopy)

225 - 350 nm

Lumme; Suomen Kemistilehti B; vol. 30; (1957); p. 168,175, View in Reaxys 38 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O

Comment (UV/VIS Spectroscopy)

225 - 380 nm

Lumme; Suomen Kemistilehti B; vol. 30; (1957); p. 168,175, View in Reaxys 39 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Comment (UV/VIS Spectroscopy)

210 - 390 nm

Lingens et al.; Zeitschrift fuer Naturforschung; vol. 12 b; (1957); p. 493,494, View in Reaxys; Jones et al.; Journal of the Association of Official Agricultural Chemists; vol. 38; (1955); p. 949,958, View in Reaxys; Grammaticakis; Bulletin de la Societe Chimique de France; (1950); p. 158,159; Bulletin de la Societe Chimique de France; (1951); p. 220,221, View in Reaxys 40 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O

Comment (UV/VIS Spectroscopy)

220 - 350 nm

Liquori; Ripamonti; Gazzetta Chimica Italiana; vol. 85; (1955); p. 578,586, View in Reaxys 41 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. HCl

Comment (UV/VIS Spectroscopy)

210 - 320 nm

Jones et al.; Journal of the Association of Official Agricultural Chemists; vol. 38; (1955); p. 949,958, View in Reaxys 42 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. NaOH

Comment (UV/VIS Spectroscopy)

220 - 370 nm

Jones et al.; Journal of the Association of Official Agricultural Chemists; vol. 38; (1955); p. 949,958, View in Reaxys 43 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

diethyl ether

Comment (UV/VIS Spectroscopy)

230 - 360 nm

Wiss; Hellmann; Zeitschrift fuer Naturforschung; vol. 8 b; (1953); p. 70,73, View in Reaxys 44 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. HCl

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Comment (UV/VIS Spectroscopy)

230 - 290 nm

Wiss; Hellmann; Zeitschrift fuer Naturforschung; vol. 8 b; (1953); p. 70,73, View in Reaxys 45 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. NaOH

Comment (UV/VIS Spectroscopy)

230 - 335 nm

Wiss; Hellmann; Zeitschrift fuer Naturforschung; vol. 8 b; (1953); p. 70,73, View in Reaxys 46 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. alkali

Dede; Rosenberg; Chemische Berichte; vol. 67; (1934); p. 147,152, View in Reaxys; v.Kiss; Csetneky; Acta Physica et Chemica; vol. 2; (1948); p. 37,43,46, View in Reaxys; Doub; Vandenbelt; Journal of the American Chemical Society; vol. 71; (1949); p. 2414,2416, View in Reaxys; Dannenberg; Zeitschrift fuer Naturforschung; vol. 4b; (1949); p. 327,333, View in Reaxys 47 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

methanol

Ramart-Lucas; Bulletin de la Societe Chimique de France; vol. <5>; (1936); p. 723,728, View in Reaxys; Dede; Rosenberg; Chemische Berichte; vol. 67; (1934); p. 147,152, View in Reaxys; Wohl; Bulletin de la Societe Chimique de France; vol. <5>6; (1939); p. 1312,1314, View in Reaxys; Dannenberg; Zeitschrift fuer Naturforschung; vol. 4b; (1949); p. 327,333, View in Reaxys 48 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

acid / H2O

Ramart-Lucas; Bulletin de la Societe Chimique de France; vol. <5>; (1936); p. 723,728, View in Reaxys; Dede; Rosenberg; Chemische Berichte; vol. 67; (1934); p. 147,152, View in Reaxys; Wohl; Bulletin de la Societe Chimique de France; vol. <5>6; (1939); p. 1312,1314, View in Reaxys; v.Kiss; Csetneky; Acta Physica et Chemica; vol. 2; (1948); p. 37,43,46, View in Reaxys; Doub; Vandenbelt; Journal of the American Chemical Society; vol. 71; (1949); p. 2414,2416, View in Reaxys; Dannenberg; Zeitschrift fuer Naturforschung; vol. 4b; (1949); p. 327,333, View in Reaxys 49 of 49

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O

Dede; Rosenberg; Chemische Berichte; vol. 67; (1934); p. 147,152, View in Reaxys; v.Kiss; Csetneky; Acta Physica et Chemica; vol. 2; (1948); p. 37,43,46, View in Reaxys; Magini; Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti; vol. <5> 12 II; (1903); p. 260; Chem. Zentralbl.; vol. 75; nb. II; (1904); p. 935, View in Reaxys; Havinga; Veldstra; Recueil des Travaux Chimiques des Pays-Bas; vol. 66; (1947); p. 257,258, View in Reaxys NQR Spectroscopy (1) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)

References

Nuclear quadrupole 14N coupling constants

d'Avignon, Dana A.; Brown, Theodore L.; Journal of Physical Chemistry; vol. 85; nb. 26; (1981); p. 4073 - 4079, View in Reaxys

Raman Spectroscopy (4) Description (Ram- Solvent (Raman an Spectroscopy) Spectroscopy)

References

Raman

Bands

Regulska; Samsonowicz; Swislocka; Lewandowski; Journal of Molecular Structure; vol. 936; nb. 1-3; (2009); p. 162 - 170, View in Reaxys; Govindarajan; Ganasan; Periandy; Mohan; Tedlamelekot; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 79; nb. 5; (2011); p. 2003 - 2011, View in Reaxys solid

Samsonowicz; Hrynaszkiewicz; Swislocka; Regulska; Lewandowski; Journal of Molecular Structure; vol. 744-747; nb. SPEC. ISS.; (2005); p. 345 - 352, View in Reaxys

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Spectrum

solid

Samsonowicz; Hrynaszkiewicz; Swislocka; Regulska; Lewandowski; Journal of Molecular Structure; vol. 744-747; nb. SPEC. ISS.; (2005); p. 345 - 352, View in Reaxys

Spectrum

Herz; Wittek; Monatshefte fuer Chemie; vol. 74; (1943); p. 271,274, 275, View in Reaxys

Luminescence Spectroscopy (13) Description (Lumi- Comment (Luminescence Spectronescence Spectroscopy) scopy)

References

Luminescence

Luminescence quenching

Pruetz; Land; Journal of Physical Chemistry; vol. 78; (1974); p. 1251, View in Reaxys; Kilin; Rozman; Optics and Spectroscopy; vol. 15; (1963); p. 266; ; p. 494, View in Reaxys; Kilin; Rozman; Optics and Spectroscopy; vol. 17; (1964); p. 380; ; p. 705, View in Reaxys; Pruetz; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; vol. 29; (1974); p. 245,251, View in Reaxys; Kamiya; Iwaki; Kogyo Kagaku Zasshi; vol. 72; (1969); p. 85,88; Chem.Abstr.; vol. 71; nb. 49035; (1969), View in Reaxys; Kovalev; Optics and Spectroscopy; vol. 12; (1962); p. 76; ; p. 143, View in Reaxys; Kalinovskaya; Zadorozhnaya; Karasev; Russian Journal of General Chemistry; vol. 81; nb. 5; (2011); p. 819 - 823, View in Reaxys Quenching with ethylene trithiocarb

Ray, Reba; Mukherjee, Samaresh; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1988); p. 1979 - 1982, View in Reaxys

Luminescence quantum yield

Tachiki; Aprison; Analytical Chemistry; vol. 47; (1975); p. 7,10, View in Reaxys; Melhuish; Journal of Physical Chemistry; vol. 65; (1961); p. 229; Chem.Abstr.; vol. 66; nb. 79618; (1967), View in Reaxys; Melhuish; New Zealand Journal of Science and Technology, Section B: General Section; vol. 37; (1955); p. 142, View in Reaxys; Fadeeva; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 29; (1965); p. 1441; ; p. 1429, View in Reaxys; Mukherjee, Samaresh; Bulletin of the Chemical Society of Japan; vol. 60; nb. 3; (1987); p. 1119 - 1124, View in Reaxys

Luminescence lifetime

Lysenko; Kislyak; Journal of Applied Spectroscopy; vol. 7; (1967); p. 272; ; p. 395, View in Reaxys; Viktorova et al.; Optics and Spectroscopy; vol. 9; (1960); p. 181; ; p. 349, View in Reaxys; Mukherjee, Samaresh; Bulletin of the Chemical Society of Japan; vol. 60; nb. 3; (1987); p. 1119 - 1124, View in Reaxys

Triboluminescence

Hardy, Gordon E.; Kaska, William C.; Chandra, B. P.; Zink, Jeffrey I.; Journal of the American Chemical Society; vol. 103; nb. 5; (1981); p. 1074 - 1079, View in Reaxys

Thermoluminescence

Arama et al.; Journal of Luminescence; vol. 5; (1972); p. 439,441,444, View in Reaxys

Luminescence quenching

Melhuish; Journal of Physical Chemistry; vol. 65; (1961); p. 229; Chem.Abstr.; vol. 66; nb. 79618; (1967), View in Reaxys; Okano; Komatsu; Nara; Tsuji; Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan; vol. 89; nb. 1; (1969); p. 51 - 57, View in Reaxys

Lasing properties

der Phosphorescenz Dworowenko; Naucn. Zap. Odessk. pedagog. Inst.; vol. 22; nb. 2; (1958); p. 32; Chem.Abstr.; der Kristalle sowie (1961); p. 11106, View in Reaxys; Dworowenko; Izvestiya Akademii Nauk SSSR, Seriya Fizichevon Loesungen in skaya; vol. 23; (1959); p. 139; engl. Ausg. S. 132, View in Reaxys MgO und in CaO bei -180grad und bei Raumtemperatur.

Lasing properties

der Phosphorescenz der Kristalle sowie von Loesungen in CCl4, Aethanol, Aceton und H2O bei -183grad.

Tepljakow; Pjatnizkii; Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya; vol. 20; (1956); p. 520,523; Chem.Abstr.; (1957); p. 1737, View in Reaxys; Pjatnizkii; Fadeewa; Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya; vol. 20; (1956); p. 524,526; Chem.Abstr.; (1957); p. 1737, View in Reaxys; Tepljakow; Optika i Spektroskopiya; vol. 1; (1956); p. 896,898; Chem.Abstr.; (1957); p. 2403, View in Reaxys

Luminescence quenching

der Fluorescenz in organischen Loesungsmitteln nach Anregung durch ηTeilchen und durch η-Strahlen.

Furst; Kallmann; Physical Review; vol. <2> 85; (1952); p. 816,821, View in Reaxys

Lasing properties

der Phosphorescenz Dikun et al.; Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki; vol. 2; (1951); p. 150,154; der Kristalle sowie Chem.Abstr.; (1951); p. 8357, View in Reaxys von Loesungen in Aethanol bei -195grad.

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Luminescence quenching

der Fluorescenz Rollefson; Stoughton; Journal of the American Chemical Society; vol. 63; (1941); p. 1517,1519, von wss. Anthranil- View in Reaxys saeure-Loesungen durch Jodat-, Bromat-, Nitrat- und Tetrathionat-Ionen.

Degree of depolarization of luminescence

der Fluorescenz im UV-Licht (233 mμ bis 436 mμ).

Fluorescence Spectroscopy (24) Description (Fluo- Solvent (Fluoresrescence Spectrocence Spectroscoscopy) py)

Mitra; Indian Journal of Physics (1926-1976); vol. 13; (1939); p. 349,353; Zeitschrift fuer Physik; vol. 97; (1935); p. 138,143, View in Reaxys

Location

Comment (Fluores- References cence Spectroscopy)

Spectrum

Zhang; Bi; Fan; Yan; Huang; Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya; vol. 41; nb. 4; (2015); p. 274 - 284; Art.No: 9853, View in Reaxys

Maxima; Fluorescence lifetime; Spectrum

Abou-Zied, Osama K.; Al-Busaidi, Badriya Y.; Husband, John; Journal of Physical Chemistry A; vol. 118; nb. 1; (2014); p. 103 - 109, View in Reaxys

Fluorescence

Crabtree,E.V. et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 268 - 272, View in Reaxys; Berlman; Chemical Physics Letters; vol. 3; (1969); p. 61, View in Reaxys; Lloyd; Evett; Analytical Chemistry; vol. 49; (1977); p. 1710,1711, 1713, 1714, View in Reaxys; Elkana et al.; Journal of Chemical Physics; vol. 48; (1968); p. 2399,2401, View in Reaxys; Mataga; Bulletin of the Chemical Society of Japan; vol. 36; (1963); p. 654,656, View in Reaxys; Fadeeva; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 29; (1965); p. 1441; ; p. 1429, View in Reaxys; Berlman; Handbook of Fluorescence Spectra of Aromatic Molecules (2.Aufl.); (1971); p. 167, View in Reaxys; Lee; Seliger; Photochemistry and Photobiology; vol. 11; (1970); p. 247,248, 250-254, View in Reaxys; Bogom'ya; Fofonova; Sov. Phys. J. (Engl. Transl.); vol. 20; nb. 7; (1977); p. 149,976, View in Reaxys; Williams; Slavin; Journal of Agricultural and Food Chemistry; vol. 25; (1977); p. 756,758, View in Reaxys; Kuhn; Geider; Chemische Berichte; vol. 101; (1968); p. 3587, View in Reaxys; Raditzky; Schmeide; Sachs; Geipel; Bernhard; Polyhedron; vol. 29; nb. 1; (2010); p. 620 - 626, View in Reaxys; Wysocka, Magdalena; Lesner, Adam; Guzow, Katarzyna; Kulczycka, Julia; Legowska, Anna; Wiczk, Wieslaw; Rolka, Krzysztof; Analytical Chemistry; vol. 82; nb. 9; (2010); p. 3883 - 3889, View in Reaxys

Fluorescence

supporting information

Wang, Qiang-Li; Zhang, Han; Jiang, Yun-Bao; Tetrahedron Letters; vol. 50; nb. 1; (2009); p. 29 - 31, View in Reaxys

Fluorescence excitation spectrum

Southern, Cathrine A.; Levy, Donald H.; Florio, Gina M.; Longarte, Asier; Zwier, Timothy S.; Journal of Physical Chemistry A; vol. 107; nb. 20; (2003); p. 4032 - 4040, View in Reaxys

Maxima

Southern, Cathrine A.; Levy, Donald H.; Florio, Gina M.; Longarte, Asier; Zwier, Timothy S.; Journal of Physical Chemistry A; vol. 107; nb. 20; (2003); p. 4032 - 4040, View in Reaxys

Fluorescence quantum yield

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ambient temperature

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Zacharias, Panthapally S.; Ameerunisha, Sardar; Korupoju, Srinivas R.; Journal of the Chemical Society. Perkin Transactions 2; nb. 9; (1998); p. 2055 2059, View in Reaxys

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Maxima

cyclohexane

380 nm

Mukherjee, Samaresh; Bulletin of the Chemical Society of Japan; vol. 60; nb. 3; (1987); p. 1119 - 1124, View in Reaxys

Maxima

aq. HCl

238.58 nm

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys

Maxima

acetonitrile

253.71 nm

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys

Maxima

aq. KOH

254.51 nm

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys

Maxima

methylcyclohexane

257.22 nm

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys

Maxima

ethanol

259.22 nm

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys

Maxima

cyclohexane

260.33 nm

Jain, Dharam V. S.; Nandel, Fateh S.; Singla, Prem; Kaur, Daman Jit; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 25; nb. 1; (1986); p. 15 - 19, View in Reaxys

390 nm

Aoki; Shinke; Nishira; Agricultural and Biological Chemistry; vol. 48; nb. 9; (1984); p. 2309 - 2313, View in Reaxys

Maxima

Maxima

H2O

Maxima

Maxima

H2O (pH 7)

Spectrum

H2O

Selinskii et al.; Doklady Akademii Nauk SSSR; vol. 121; (1958); p. 315; Doklady Physical Chemistry; 118-123 <1958> 507, View in Reaxys; Selinskii et al.; Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya; vol. 23; (1959); p. 1269,1270; engl. Ausg. S. 1259, View in Reaxys bei -196grad.

Selinskii et al.; Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya; vol. 23; (1959); p. 1269,1270; engl. Ausg. S. 1259, View in Reaxys

405 nm

Duggan et al.; Archives of Biochemistry; vol. 68; (1957); p. 1,4, View in Reaxys Kavanagh; Goodwin; Archives of Biochemistry; vol. 20; (1949); p. 315,318, View in Reaxys; Dutt; Journal of the Indian Chemical Society; vol. 7; (1930); p. 505,508, View in Reaxys

Spectrum

400 - 720 nm

Bertrand; Bulletin de la Societe Chimique de France; vol. <5> 12; (1945); p. 1023,1025, View in Reaxys

Spectrum

in Alkali bei UVBestrahlung.

Albrecht; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 136; (1928); p. 329, View in Reaxys

Maxima

ethanol

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Ley; v. Engelhardt; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 74; (1910); p. 39, View in Reaxys

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Maxima

aq. HCl / ethanol

Ley; v. Engelhardt; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 74; (1910); p. 39, View in Reaxys

Maxima

sodium ethanolate

Ley; v. Engelhardt; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 74; (1910); p. 39, View in Reaxys

Phosphorescence Spectroscopy (3) Description (Phos- Solvent (Phosphorphorescence Spec- escence Spectrotroscopy) scopy)

Comment (Phosphorescence Spectroscopy)

References

Spectrum

400 - 520 nm

Hardy, Gordon E.; Kaska, William C.; Chandra, B. P.; Zink, Jeffrey I.; Journal of the American Chemical Society; vol. 103; nb. 5; (1981); p. 1074 1079, View in Reaxys

Phosphorescence

Spectrum

Vartanyan; Rozenshtein; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 25; (1961); p. 416; ; p. 428, View in Reaxys; Fadeeva; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol. 29; (1965); p. 1441; ; p. 1429, View in Reaxys ethanol

424 - 495 nm; bei -183grad.

Tepljakow; Fizika; nb. 2; (1959); p. 135,136; Chem.Abstr.; (1959); p. 19567, View in Reaxys

Other Spectroscopic Methods (1) Description (Other References Spectroscopic Methods) Photoelectron spec- Yoshida; Sawada; Bulletin of the Chemical Society of Japan; vol. 49; (1976); p. 3319, View in Reaxys trum Exposure Assessment (1) Exposure Sources distribution in waste water samples from former ammunition plant in Stadtallendorf, Germany

former ammunition plant

References Schmidt, Torsten C.; Steinbach, Klaus; Von Loew, Eberhard; Stork, Gottfried; Chemosphere; vol. 37; nb. 6; (1998); p. 1079 - 1090, View in Reaxys

Biodegradation (4) 1 of 4

Type (Biodegradation)

aerobic

Inoculum

soil heterotrophic bacteria

Concentration (Biodegradation)

3 mg/kg

Temperature (Biodegradation) [°C]

20

Method, Remarks (Biodegradation)

(U-14C-phenyl)-lab. title comp. (3086 KBq/mg) was incub. with native Ap soil for 32 days; title comp. mineralization and formation of bound residues, and recovery of radioactivity in different fractions of humic material were presented in diagrams

Knauber; Krotzky; Schink; Environmental Science and Technology; vol. 34; nb. 4; (2000); p. 598 - 603, View in Reaxys 2 of 4

Type (Biodegradation)

aerobic

Inoculum

activated sewage sludge

Concentration (Biodegradation)

100 mg/l

Method, Remarks (Biodegradation)

according to MITI and OECD standard test; growth kinetic parameter values measurement: maximum observed relative growth rate of microorganisms, μmax, 3.1 d-1, half-saturation constant, Ks, < 1 mg ThOD/l

Blok; Struys; Ecotoxicology and Environmental Safety; vol. 33; nb. 3; (1996); p. 217 - 227, View in Reaxys 3 of 4

Type (Biodegradation)

aerobic

Inoculum

Pseudomonas sp. LD2

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Concentration (Biodegradation)

250 mg/l

Degradation Rate (Biodegradation) [%]

100 percent

Exposure Period (Biodegradation)

16 h

Temperature (Biodegradation) [°C]

28

Method, Remarks (Biodegradation)

isolate LD2; bacterium from creosote-contaminated soil from a site in Edmonton, AB, Canada; nitrogen-free mineral medium; also degradation in the presence of carbazole (5 h) and indole-3-acetic acid (12 h)

Degradation Product (Biodegradation)

cis,cis-Muconic acid

Gieg, Lisa M.; Otter, Albin; Fedorak, Phillip M.; Environmental Science and Technology; vol. 30; nb. 2; (1996); p. 575 - 585, View in Reaxys 4 of 4

Type (Biodegradation)

aerobic

Inoculum

Pseudomonas putida B2

Concentration (Biodegradation)

1 mmol/l

Temperature (Biodegradation) [°C]

30

Method, Remarks (Biodegradation)

B2 pregrown on glucose; batch culture; mineral medium with ammonium sulphate; growth

Meulenberg, Rogier; Pepi, Milva; De Bont, Jan A.M.; Biodegradation; vol. 7; nb. 4; (1996); p. 303 - 311, View in Reaxys Abiotic Degradation, Hydrolysis (1) 1 of 1

Type (Abiotic Degradation, Hydrolysis)

hydrolysis

Concentration (Abiotic Degradation, Hydrolysis)

3 mg/kg

Temperature (Abiotic Deg- 20 radation, Hydrolysis) [°C] Method, Remarks (Abiotic (U-14C-phenyl)-lab. title comp. (3086 kBq/mg) was incub. with sterile Ap soil for 32 d in the dark; Degradation, Hydrolysis) mineralization and formation of bound residues, and recovery of radioactivity in different fractions of humic acid were presented in diagrams Knauber; Krotzky; Schink; Environmental Science and Technology; vol. 34; nb. 4; (2000); p. 598 - 603, View in Reaxys Oxygen Demand (1) 1 of 1

Type (Oxygen Demand)

BOD

Related to

Substance

Concentration (Oxygen Demand)

2 mg/l

Oxygen Demand [mg O2/l]

62.7 percent

Method, Remarks (Oxygen Demand)

title comp. incubated with water sample from Sounghua River, China (pH 6.8-7.0, dissolved oxygen ca. 8.0 mg/l) in sealed bottles for 5 d at 20 deg C

Lu; Zhao; Yang; Cheng; Bulletin of Environmental Contamination and Toxicology; vol. 69; nb. 1; (2002); p. 111 - 116, View in Reaxys Use (182) Laboratory Use and Use Pattern Handling Pharmaceuticals

Location

References

Page/Page column title page; 17-18

Patent; UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6); CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; Alphandery, Edouard; Chebbi, Iméne; (33 pag.); US9359589; (2016); (B2) English, View in Reaxys

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stimulating growth of magnetotactic bacteria

Page/Page column title page; 17-18

Patent; UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6); CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; Alphandery, Edouard; Chebbi, Iméne; (33 pag.); US9359589; (2016); (B2) English, View in Reaxys

thinning agent

Page/Page column Title page; 29

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; DECKERS, Tom; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116256; (2010); (A2) English, View in Reaxys

complexing agent in a nanoparticulate formulation for epilepsy-related disorders

Patent; MARINUS PHARMACEUTICALS; WO2008/66899; (2008); (A2) English, View in Reaxys

complexing agent in a nanoparticulate formulation for central nervous system disorders

Patent; MARINUS PHARMACEUTICALS; WO2008/66899; (2008); (A2) English, View in Reaxys

Increases nutrient digestion

Patent; NOVUS INTERNATIONAL, INC.; US2008/15217; (2008); (A1) English, View in Reaxys

Improves rumen fermentation

Patent; NOVUS INTERNATIONAL, INC.; US2008/15217; (2008); (A1) English, View in Reaxys

Improves microbial growth

Patent; NOVUS INTERNATIONAL, INC.; US2008/15217; (2008); (A1) English, View in Reaxys

Improves microbial efficiency

Patent; NOVUS INTERNATIONAL, INC.; US2008/15217; (2008); (A1) English, View in Reaxys

Increase milk production

Patent; NOVUS INTERNATIONAL, INC.; US2008/15217; (2008); (A1) English, View in Reaxys

Increase milk fat

Patent; NOVUS INTERNATIONAL, INC.; US2008/15217; (2008); (A1) English, View in Reaxys

Reduce the formation of free radicals in the diet

Patent; NOVUS INTERNATIONAL, INC.; US2008/15217; (2008); (A1) English, View in Reaxys

Prevents oxidation of different types of fats utilized in a ruminant diet

Patent; NOVUS INTERNATIONAL, INC.; US2008/15217; (2008); (A1) English, View in Reaxys

non-selective cyclooxygenase (Cox) inhibitor

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory disorders

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory diseases

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory conditions

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating acute inflammatory disorders

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating chronic

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

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inflammatory disorders Non-steroidal antiinflammatory agent for treating inflammatory disorders arising from atropy

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory conditions arising from anaphylactic hypersensitivity

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory conditions arising from allergic reactions

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory conditions arising from allergies

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory conditions arising from allergic conjunctivities

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory conditions arising allergic rhinitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory conditions arising from atopic asthma

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory conditions arising from atopic dermatitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory conditions arising from food allergies

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory diaseases characterized by tissue destruction

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

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Non-steroidal antiinflammatory agent for treating inflammatory diseases characterized by adverse tissue remodeling

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating asthma

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating lung inflammation

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating chronic granulomatous diseases

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating tuberculosis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating leprosy

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating sarcoidosis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating silicosis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating nephritis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating amyloidosis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating rheumatoid arthritis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating ankylosing spondylitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating chronic bronchitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating scleroderma

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating lupus

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

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Non-steroidal antiinflammatory agent for treating polymyositis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating appendecitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory bowel disease

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Crohn's disease

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating ulcerative colitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating psoriasis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating pelvic inflammatory disease

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating irritable bowel syndrome

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating orbital inflammatory disease

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating thrombotic disease

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inappropriate allergic responses to environmental stimuli

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Inappropriate allergic responses to poison ivy

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inappropriate allergic responses to pollen

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

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for treating inappropriate allergic responses to insect sting Non-steroidal antiinflammatory agent for treating inapproptiate allergic responses to certain foods

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating atopic dermatitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating contact dermatitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammatory conditions associated with autoimmune diseases arising from any nonanaphylactic hypersensitivity reactions

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating autoimmune diseases

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating single organ autoimmune disorders

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating single cell-type autoimmune disorders

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Hashimoto's thyroiditis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating autoimmune hemolytic anemia

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating autoimmune atrophic gastritis of pernicious anemia

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating autoimmune encephalomyelitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

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113/192

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Non-steroidal antiinflammatory agent for treating autoimmune orchitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Goodpasture's disease

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating autoimmune thrombocytopenia

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating sympathetic ophthalmia

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating myasthenia gravis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Graves' disease

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating primary biliary cirrhosis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating chronic aggressive hepatitis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating membranous glomerulopathy

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating systemic autoimmune disorders

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating systemic lupus erythematosis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Sjogren's syndrome

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Reiter's syndrome

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating polymyositis-dermatomyositis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

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Non-steroidal antiinflammatory agent for treating systemic sclerosis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating polyarteritis nodosa

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating multiple sclerosis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-son-steroidal anti-inflammatory agent for treating bullous pemphigoid

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating inflammation associated with malignant conditions

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating mastocytosis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating fungoid mycosis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Sezary syndrome

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating acute leukemia

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Acute lymphoma

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Polyerthritis

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating chronic inflammatory condition arising from an autoimmune disorder

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

Non-steroidal antiinflammatory agent for treating Lupus erythematosus

Patent; Rigel Pharmaceuticals, Inc.; US2007/117775; (2007); (A1) English, View in Reaxys

catalyst for hydration of alkylene oxides

Patent; SAUDI BASIC INDUSTRIES CORPORATION; WO2006/29498; (2006); (A1) English, View in Reaxys

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lip care composition

Patent; Brunner, Michael S.; US2005/66463; (2005); (A1) English, View in Reaxys

sun screening agent

Patent; Brunner, Michael S.; US2005/66463; (2005); (A1) English, View in Reaxys

water-soluble organic UV sunscreen for cosmetic composition

Patent; Pataut, Francoise; Gringore, Charles; US2005/249686; (2005); (A1) English, View in Reaxys

Chelator of cleaning composition for removing photoresist and/or sacrificial anti-reflective coating (SARC) material

Patent; Rath, Melissa K.; Bernhard, David D.; Minsek, David; Korzenski, Michael B.; Baum, Thomas H.; US2005/197265; (2005); (A1) English, View in Reaxys

transdermal drug delivery system

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

ophthalmic diseases

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

keratitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

conjunctivitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

blepharitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

corneal tumor

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

dacryocystitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

allergic conjunctivitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

pollinosis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

vernal conjunctivitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

superficial keratitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

marginal blepharitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

scleritis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

chronic conjunctivitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

trachoma

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

hordeolum

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

corneal ulcer

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

tarsadenitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

cataract

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

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miotics

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

mydriatics

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

topical astringents

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

ocular tension

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

ocular hypertension

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

asthenopia

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

accommodative esotropia

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

central retinitis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

postoperative inflammation

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

postoperative infection

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys

extracorporeal pathogen reduction system

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

auto-transfusion disease

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

auto-immune disease

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

blood autotransfusion

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

bone marrow transfusion

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

peripheral stem cell transfusion

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

general delipidation

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

plasma de-virusing

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

myasthenia gravis

Patent; Nichiban Company Limited; Senju Pharmaceutical Co., Ltd.; EP1591110; (2005); (A1) English, View in Reaxys; Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

Lambert-Eaton syndrome

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

Guillain-Barre syndrome

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

acute myocardial infarction

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

aspergillus spp pathogen

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

candida spp pathogen

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

Pseudomonas aerogenosa pathogen

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

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Clamydia pneumoniae pathogen

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

Mycobacterium tuberculosis pathogen

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

HCV

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

HAV

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

HIV-1

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

HIV-2

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

HHV-6

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

HSV-1

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

HSV-2

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

CMV

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

EBV

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

rotavirus

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

adenoviruses

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

respiratory syncytial virus

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

parvovirus B19

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

Ebola virus

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

poliovirus

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

Dengue virus

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

Varicella-zoster virus

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

Haemophilus influenza

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

measles virus

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

mumps virus

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

influenza viruses

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

photosensitizer

Patent; XEPMED, INC.; WO2005/51312; (2005); (A2) English, View in Reaxys

water-soluble organic UV-screening agent for composition for treating a keratinous material

Patent; L'OREAL S.A.; US2004/253283; (2004); (A1) English, View in Reaxys

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suppression of T-, B-, and NK-cell activity

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys

Drug acting on the immune system

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys

Treatment of autoimmune diseases

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys

Treatment of rheumatic diseases

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys

Prevention of recurrent abortion

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys

Suppression of transplantate rejection

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys

spectrophotometric determination of platinum(IV)

Nambiar, C.H. Raghavan; Narayana; Sreekumar; Nazareth; Bhat, N. Gopalakrishna; Journal of the Indian Chemical Society; vol. 79; nb. 9; (2002); p. 778 - 779, View in Reaxys

Verw. v. Anthranilsaeure-U-3H u. v. Anthranilsaeure-14COOH von Kulturen v. Penicillium viridicatum bei der Bldg. v. radioact. Viridicatin

Luckner; Mothes; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 296; (1963); p. 18,22,24,26,27, View in Reaxys

zur Best. v. Cu

Simon; Angewandte Chemie; vol. 73; (1961); p. 481,484, View in Reaxys

zur Unters. d. Biosynthese v. ClavinAlkaloiden

Plieninger,H. et al.; Justus Liebigs Annalen der Chemie; vol. 642; (1961); p. 214 - 224, View in Reaxys

tritiummarkierte Anthranilsaeure zur Titrierung v. Cu

Aylward et al.; Journal of Inorganic and Nuclear Chemistry; vol. 16; (1960); p. 350,351,352,353,354,355, View in Reaxys

als Redox-Indikator; Uebergangspotential <18-20grad> in H2SO4

Rees; Stephen; Journal of the Chemical Society; (1960); p. 4225,4226, 4227, View in Reaxys

Isolation from Natural Product (14) Isolation from Nat- Location ural Product isolated from endophytic fungus Pestalotiopsis sp., obtained from fruits of Drepanocarpus lunatus (Fabaceae) collected from Douala, Cameroon in august 2013 and co-cultivated with bacterium Bacillus subtilis Dichotomomyces cejpii F31-1; obtained from the inner tissue of the soft coral Lobophytum crassum collected from Hainan Sanya National

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Coral Reef Reserve, China culture broth of supporting informa- Abdelfattah, Mohamed S.; Toume, Kazufumi; Arai, Midori A.; Masu, Hyuma; Ishibashi, Streptomyces sp. tion Masami; Tetrahedron Letters; vol. 53; nb. 26; (2012); p. 3346 - 3348, View in Reaxys IFM 11299; isolated from soil sample collected in Katori city, Chiba prefecture, Japan Radix Isatidis (dried root of Isatis indigotica FORT) collected from Anguo city, Hebei province, China

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Medchem (194) 1 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

inhibition of antibody binding

Measurement Parameter

qualitative

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120/192

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Mercader, Josep V.; Primo, Jaime; Montoya, Angel; Journal of Agricultural and Food Chemistry; vol. 43; nb. 11; (1995); p. 2789 - 2793, View in Reaxys 2 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

wide range of antibacterial activity

Measurement Parameter

qualitative

Kar; Gugnani; Madumere; Die Pharmazie; vol. 35; nb. 8; (1980); p. 466 - 468, View in Reaxys 3 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : oxygen consumption; inhibition ofTarget : Sprague-Dawley rat heart mitochondriaBioassay : MS: mitochondrial suspension (0.5 mg protein/ml); IP: inorganic phosphate, 4 mmol/l; G/M: glutamate/malate, 5 mmol/l; S: succinate, 10 mmol/l; NADH: 1 mmol/l; ADP: 208 μmol/l; OCR: oxygen consumption rates; RCI: respiratory control index title comp. was added to MS 1 min before starting state IV respiration by G/M, S or NADH., in presence of IP; transition to state III respiration was initiated by ADP; OCR were measured by a micro-Clark-type electrode; RCI and ADP/oxygen calculated

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

0.00125000 mM

Qualitative Results

title comp. lowered state III respiration and RCI of G/M- but neither S- nor NADH-respiring mitochondria

Measurement Parameter

qualitative

Baran, Halina; Staniek; Kepplinger; Stur; Draxler; Nohl; Life Sciences; vol. 72; nb. 10; (2003); p. 1103 - 1115, View in Reaxys 4 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |drug interaction Target : Sprague-Dawley rat heart mitochondriaBioassay : KA: kynurenic acid, 125 or 625 μmol/l; MS: mitochondrial suspension (0.5 mg protein/ml); IP: inorganic phosphate, 4 mmol/l; G/M: glutamate/malate, 5 mmol/l; ADP: 208 μmol/l; OCR: oxygen consumption rates; RCI: respiratory control index title comp. and KA added simultaneously to MS 1 min before starting state IV respiration by G/M in presence of IP; transition to state III respiration was initiated by ADP; OCR were measured by a micro-Clark-type electrode; RCI and ADP/oxygen calculated

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

125 µM

Qualitative Results

co-application of title comp. and KA (125 or 625 μmol/l) revealed a non-additive effect; an increase of state IV and a significant decrease of RCI was observed, similar to that obtained with KA alone

Measurement Parameter

qualitative

Baran, Halina; Staniek; Kepplinger; Stur; Draxler; Nohl; Life Sciences; vol. 72; nb. 10; (2003); p. 1103 - 1115, View in Reaxys 5 of 194

Substance Effect

Antimutagenic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Bioassay : preincubation: citrate-phosphate buffer pH 6.5; 1 h at 37 deg C; 3 μM N-methyl-N'-nitro-N-nitrosoguanidine (MNNG); top agar contg. histidine and biotin; Vogel-Bonner minimal medium plates; plating at 37 deg C modified preincubation test; plating; scoring revertant colonies

Biological Species/NCBI ID

Salmonella enterica serovar Typhimurium

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Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

0.625000 mM

Qualitative Results

42.8-100.0 percent repression of mutagenicity of MNNG

Measurement Parameter

qualitative

Gichner; Voutsinas; Patrineli; Kappas; Plewa; Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis; vol. 309; nb. 2; (1994); p. 201 - 210, View in Reaxys 6 of 194

Substance Effect

Antimutagenic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Target : Salmonella typhimurium YG1024Bioassay : Nicotiana tabacum VBO cells, MX medium, 10 days; preincub.: citrate-phosphate buffer pH 6.5, 1 h, 37 deg C; 40 μM 2-aminofluorene (2-AF); top agar contg. histidine and biotin; Vogel-Bonner minimal medium plates; plating at 37 deg C modified preincubation test; in presence of tobacco activation medium; plating; scoring revertant colonies

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

2.50000 mM

Qualitative Results

25.7-69.0 percent repression of mutagenicity of 2-AF

Measurement Parameter

qualitative

Gichner; Voutsinas; Patrineli; Kappas; Plewa; Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis; vol. 309; nb. 2; (1994); p. 201 - 210, View in Reaxys 7 of 194

Substance Effect

Antimutagenic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Target : Salmonella typhimurium YG1024Bioassay : preincub.: citrate-phosphate buffer pH 6.5, 1 h, 37 deg C; 3 μM 2-acetoxy-2-acetylaminofluorene (2-AAAF); top agar contg. histidine and biotin; Vogel-Bonner minimal medium plates; plating at 37 deg C modified preincubation test; plating; scoring revertant colonies

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

5 mM

Qualitative Results

no reduction in 2-AAAF-induced mutagenicity

Measurement Parameter

qualitative

Gichner; Voutsinas; Patrineli; Kappas; Plewa; Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis; vol. 309; nb. 2; (1994); p. 201 - 210, View in Reaxys 8 of 194

Substance Effect

Toxic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : cell deathTarget : Solanum mammosum, cell suspension culture

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

500 mg/L

Qualitative Results

cell growth inhibition at 750 mg/l, cell death at >1000 mg/l

Measurement Parameter

qualitative

Syahrani, Achmad; Ratnasari, Evi; Indrayanto, Gunawan; Wilkins, Alistair L.; Phytochemistry; vol. 51; nb. 5; (1999); p. 615 - 620, View in Reaxys

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9 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : fibril formation; inhibition ofTarget : recombinant transthyretinBioassay : fibril formation in the absence of title comp. assigned as 100 percent; complete inhibition was equivalent to 0 percent fibril formation transthyretin incubated with title comp. in phosphate buffer, pH 7.2 at 37 deg C for 30 min; pH lowered to pH 4.4 by addition of acetate buffer, pH 4.2; incubated at 37 deg C for 72 h; quantified by turbidity measurements

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

1.44000 mM

Qualitative Results

98 percent fibril formation

Measurement Parameter

qualitative

Johnson, Steven M.; Petrassi, H. Michael; Palaninathan, Satheesh K.; Mohamedmohaideen, Nilofar N.; Purkey, Hans E.; Nichols, Christopher; Chiang, Kyle P.; Walkup, Traci; Sacchettini, James C.; Sharpless, K. Barry; Kelly, Jeffery W.; Journal of Medicinal Chemistry; vol. 48; nb. 5; (2005); p. 1576 - 1587, View in Reaxys 10 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; inhib. of Target : bovine liver mitochondria medium chain acyl-CoA synthetaseBioassay : control: no title comp. enzyme incubated in buffer with title comp. 15 min, 37 deg C, pH 8.5; 160 Îźmol/l hexanoic acid as enzyme substrate added, incubated 30 min; enzyme activity was determined using the coupled enzyme assay

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

1 mM

Qualitative Results

title comp. induced decrease of acyl-CoA synthetase activity to 92 percent compared to control (table)

Measurement Parameter

qualitative

Kasuya, Fumiyo; Igarashi, Kazuo; Fukui, Miyoshi; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1643 - 1646, View in Reaxys 11 of 194

12 of 194

Target Name

Phenylalanine ammonia-lyase

Target Synonyms

l-phenylalanine ammonia-lyase; pal; pal1; pal17.1; pal5; pal6; pala; palb; phe ammonia-lyase; phenylalanine ammonia-lyase; phenylalanine ammonia-lyase activity; phenylalanine ammonium-lyase; phenylalanine deaminase; tpa1; zb8

Target, Subunit, Species

Phenylalanine ammonia-lyase

Target Mutant/Chimera Details

Phenylalanine ammonia-lyase:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; induction of

Substance RN

471803View in Reaxys

Substance Name

65199

Measurement Parameter

qualitative

Qualitative value

ND

Target Name

D-amino-acid oxidase [rat]

Target Synonyms

d-amino-acid oxidase; daao; damox; dao; dao1

Target Uniprot ID

o35078

Target, Subunit, Species

D-amino-acid oxidase [rat]

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13 of 194

14 of 194

Target Mutant/Chimera Details

D-amino-acid oxidase [rat]:Wild

Target Species (Bioactivity)

rat

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Enzymology inhibition

Bioassay Details

Effect : enzyme activity Bioassay : recombinant D-amino acid oxidase holoenzymespectrophotometric assay

Biological Species/NCBI ID

rat

Substance RN

471803View in Reaxys

Substance Name

65199

Measurement Parameter

Ki (inhibition constant)

Unit

mM

Quantitative value

1.6

Measurement pX

2.8

Target Name

D-amino-acid oxidase [rat]

Target Synonyms

d-amino-acid oxidase; daao; damox; dao; dao1

Target Uniprot ID

o35078

Target, Subunit, Species

D-amino-acid oxidase [rat]

Target Mutant/Chimera Details

D-amino-acid oxidase [rat]:Wild

Target Species (Bioactivity)

rat

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : protein binding affinity Bioassay : recombinant D-amino acid oxidase holoenzymespectrophotometric assay

Biological Species/NCBI ID

rat

Substance RN

471803View in Reaxys

Substance Name

65199

Measurement Parameter

Kd (dissociation constant)

Unit

mM

Quantitative value

5.5

Measurement pX

2.26

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Biological Species/NCBI ID

Staphylococcus epidermidis

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

256 Âľg/mL

Measurement Parameter

qualitative

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Qualitative value

NA

Measurement pX

1

Suksrichavalit, Thummaruk; Prachayasittikul, Supaluk; Piacham, Theeraphon; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Molecules; vol. 13; nb. 12; (2008); p. 3040 - 3056, View in Reaxys 15 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Species : Salmonella enteritidis type C

Biological Species/NCBI ID

Salmonella enterica serovar Enteritidis

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

256 µg/mL

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Suksrichavalit, Thummaruk; Prachayasittikul, Supaluk; Piacham, Theeraphon; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Molecules; vol. 13; nb. 12; (2008); p. 3040 - 3056, View in Reaxys 16 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Biological Species/NCBI ID

Listeria monocytogenes

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

256 µg/mL

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Suksrichavalit, Thummaruk; Prachayasittikul, Supaluk; Piacham, Theeraphon; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Molecules; vol. 13; nb. 12; (2008); p. 3040 - 3056, View in Reaxys 17 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Biological Species/NCBI ID

Achromobacter xylosoxidans

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

256 µg/mL

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Suksrichavalit, Thummaruk; Prachayasittikul, Supaluk; Piacham, Theeraphon; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Molecules; vol. 13; nb. 12; (2008); p. 3040 - 3056, View in Reaxys 18 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

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Biological Species/NCBI ID

Shewanella putrefaciens

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

256 µg/mL

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Suksrichavalit, Thummaruk; Prachayasittikul, Supaluk; Piacham, Theeraphon; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Molecules; vol. 13; nb. 12; (2008); p. 3040 - 3056, View in Reaxys 19 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Biological Species/NCBI ID

Saccharomyces cerevisiae

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

256 µg/mL

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Suksrichavalit, Thummaruk; Prachayasittikul, Supaluk; Piacham, Theeraphon; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Molecules; vol. 13; nb. 12; (2008); p. 3040 - 3056, View in Reaxys 20 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Species : Streptococcus pyogenes II

Biological Species/NCBI ID

Streptococcus pyogenes

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

256 µg/mL

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Suksrichavalit, Thummaruk; Prachayasittikul, Supaluk; Piacham, Theeraphon; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Molecules; vol. 13; nb. 12; (2008); p. 3040 - 3056, View in Reaxys 21 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Biological Species/NCBI ID

Staphylococcus aureus

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

256 µg/mL

Measurement Parameter

qualitative

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Qualitative value

NA

Measurement pX

1

Suksrichavalit, Thummaruk; Prachayasittikul, Supaluk; Piacham, Theeraphon; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Molecules; vol. 13; nb. 12; (2008); p. 3040 - 3056, View in Reaxys 22 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Biological Species/NCBI ID

Bacillus subtilis

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

256 µg/mL

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Suksrichavalit, Thummaruk; Prachayasittikul, Supaluk; Piacham, Theeraphon; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Molecules; vol. 13; nb. 12; (2008); p. 3040 - 3056, View in Reaxys 23 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Biological Species/NCBI ID

Enterococcus faecalis

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

256 µg/mL

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Suksrichavalit, Thummaruk; Prachayasittikul, Supaluk; Piacham, Theeraphon; Isarankura-Na-Ayudhya, Chartchalerm; Nantasenamat, Chanin; Prachayasittikul, Virapong; Molecules; vol. 13; nb. 12; (2008); p. 3040 - 3056, View in Reaxys 24 of 194

Substance Effect

Toxic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Target : Oscillatoria perornata, blue-green algaBioassay : rapid microplate assay; T: 28-30 deg C, light intensity 18-24 μE/m2/sec; optical densities measured at 24-h intervals for 5 d at 650 nm; in MeOH

Substance RN

471803View in Reaxys

Substance Name

65199

Measurement Parameter

MIC

Unit

µM

Quantitative value

1000

Measurement pX

3

Schrader; Harries; Bulletin of Environmental Contamination and Toxicology; vol. 66; nb. 6; (2001); p. 801 - 807, View in Reaxys 25 of 194

Substance Effect

Toxic

Bioassay Category

In Vitro (Efficacy)

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Bioassay Name

In Vitro (others)

Bioassay Details

Target : Selenastrum capricornutum, green algaBioassay : rapid microplate assay; T: 28-30 deg C, light intensity 18-24 μE/m2/sec; optical densities measured at 24-h intervals for 5 d at 650 nm; in MeOH

Substance RN

471803View in Reaxys

Substance Name

65199

Measurement Parameter

MIC

Unit

µM

Quantitative value

1000

Measurement pX

3

Schrader; Harries; Bulletin of Environmental Contamination and Toxicology; vol. 66; nb. 6; (2001); p. 801 - 807, View in Reaxys 26 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

no nematicidal activity against Bursaphelenchus lignicolus

Measurement Parameter

qualitative

Nagase; Kuwahara; Tominaga; Sugawara; Agricultural and Biological Chemistry; vol. 46; nb. 1; (1982); p. 167 - 172, View in Reaxys 27 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

effect on fruiting of Favolus arcularius ATCC 24461

Measurement Parameter

qualitative

Murao, Sawao; Hayashi, Hideo; Tarui, Naoki; Agricultural and Biological Chemistry; vol. 48; nb. 6; (1984); p. 1669 - 1672, View in Reaxys 28 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

no toxicity to mosquito larvae (Culex spp.)

Measurement Parameter

qualitative

Choudhury, B.; Choudhury, B. Roy; Das, B. P.; Journal of the Indian Chemical Society; vol. 65; (1988); p. 876 - 878, View in Reaxys 29 of 194

Substance Effect

Antimutagenic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Bioassay : in distilled water; T: 26 deg C; cultivation under permanent light performed; the resting medium-pH 6.8 with or without N-methyl-N'nitro-N-nitrosoguanidine (MNNG) or N-methyl-N-nitrosourea (MNU) 10 and 400 μmol/L, resp. (in DMSO); the number of white mutants counted; percent of inhibition of mutagenicity calculated

Biological Species/NCBI ID

Euglena gracilis

Cells/Cell Lines

cells

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Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

50 µM

Qualitative Results

dose-dependent decrease of white mutants (colonies) noted

Measurement Parameter

qualitative

Foltinova, Pavlina; Grones, Jozef; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 393; nb. 1-2; (1997); p. 1 - 6, View in Reaxys 30 of 194

Substance Effect

Antimutagenic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Bioassay : in distilled water; T: 26 deg C; cultivation under permanent light performed; the resting medium-pH 6.8 with N-methyl-N'nitro-N-nitrosoguanidine (MNNG) 10 μmol/L (in DMSO); the number of white mutants counted; percent of inhibition of mutagenicity calculated

Biological Species/NCBI ID

Euglena gracilis

Cells/Cell Lines

cells

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

50 µM

Measurement Parameter

ID50

Unit

µM

Quantitative value

75

Measurement pX

4.12

Foltinova, Pavlina; Grones, Jozef; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 393; nb. 1-2; (1997); p. 1 - 6, View in Reaxys 31 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |biotransformation Target : Burkholderia terrae KU-15Bioassay : test cells incubated with title comp. at 30 deg C; metabolites identified by HPLC

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

1 mM

Measurement Parameter

qualitative

Qualitative value

ND

Iwaki, Hiroaki; Hasegawa, Yoshie; Bioscience, Biotechnology and Biochemistry; vol. 71; nb. 1; (2007); p. 145 - 151, View in Reaxys 32 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : grain yield; effect on The following mixtures of the compound or composition of the present invention are particularly mentioned: 1. The addition of Anthranilic acid (AN), acetaminophen (AC) and an additive (iv) (ADD).2. The addition of Anthranilic acid (AN), acetaminophen (AC), an additive (iv) (ADD) and thiosulphate.3.

Biological Species/NCBI ID

Phaseolus vulgaris

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

grain yield (%) = 99.7 - 101.2

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Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116260; (2010); (A2) English, View in Reaxys 33 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : grain yield; effect on Species : winter barley The following mixtures of the compound or composition of the present invention are particularly mentioned: 1. The addition of Anthranilic acid (AN), acetaminophen (AC) and an additive (iv) (ADD).2. The addition of Anthranilic acid (AN), acetaminophen (AC), an additive (iv) (ADD) and thiosulphate.3.

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

grain yield (%) = 96.8 - 98.8

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116260; (2010); (A2) English, View in Reaxys 34 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : grain yield; effect on Species : winter wheat The following mixtures of the compound or composition of the present invention are particularly mentioned: 1. The addition of Anthranilic acid (AN), acetaminophen (AC) and an additive (iv) (ADD).2. The addition of Anthranilic acid (AN), acetaminophen (AC), an additive (iv) (ADD) and thiosulphate.3.

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

grain yield (%) = 98.7 - 99.7

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116260; (2010); (A2) English, View in Reaxys 35 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

cyclooxygenase inhibitory activity: no malondialdehyde production at 9E-5 M

Measurement Parameter

qualitative

Kohno, Yasushi; Awano, Katsuya; Miyashita, Mitsutomo; Fujimori, Shizuyoshi; Kuriyama, Kazuhiko; Sakoe, Yasuhiko; Kudoh, Shinji; Saito, Koji; Kojima, Eisuke; Bioorganic and Medicinal Chemistry Letters; vol. 7; nb. 12; (1997); p. 1515 1518, View in Reaxys 36 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Electrophysiology

Bioassay Details

Effect : gap junction channel current; inhibition ofTarget : N2A cellsBioassay : Cx: connexin; Ij: junctional current title comp. applied to cells transfected with mouse Cx50; Ij measured between cell pairs by dual patch-clamp technique

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

100 µM

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

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Srinivas, Miduturu; Spray, David C.; Molecular Pharmacology; vol. 63; nb. 6; (2003); p. 1389 - 1397, View in Reaxys 37 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

in vitro antiendotoxic activity (by limulus amebocyte lysate test)

Measurement Parameter

qualitative

Wu, Xiaoyun; Liu, Yunhai; Sheng, Wanyun; Sun, Jie; Qin, Guowei; Planta Medica; vol. 63; nb. 1; (1997); p. 55 - 57, View in Reaxys 38 of 194

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Effect : abortion; prevention ofTarget : CBA/J mouseBioassay : Murine CBA/JxDBA/2 matings are known to have a high spontaneous abortion rate which is enhanced by endotoxin treatment or stress. The abortion is mediated by T cells ("Arck P. et al.", 1999, Cell. Immunol. 196:71-79). CBA/J females are mated with DBA/2 male mice. One group is exposed to ultrasonic stress

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

at 1-120 mg/kg/day, dose-dependent prevention of abortions

Measurement Parameter

qualitative

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys 39 of 194

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Effect : abortion; prevention ofTarget : CBA/J mouseBioassay : Murine CBA/JxDBA/2 matings are known to have a high spontaneous abortion rate which is enhanced by endotoxin treatment or stress. The abortion is mediated by T cells ("Arck P. et al.", 1999, Cell. Immunol. 196:71-79). CBA/J females are mated with DBA/2 male mice. One group is exposed to ultrasonic stress

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Route of Adm.

intravenous administration

Qualitative Results

at 1-120 mg/kg/day, dose-dependent prevention of abortions

Measurement Parameter

qualitative

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys 40 of 194

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Effect : allograft rejection; inhibition ofTarget : LEW ratBioassay : Tryptophan metabolites are tested in a allogeneic skin transplant model in rats (donor=BN and recipient=LEW strain). Abdominal skin of BN rats is harvested and grafts of approx. 1x1 cm are prepared and placed to the left side of thorax below the scapula of LEW rats after removing a similar piece of

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

dose-dependent prolongation of graft survival

Measurement Parameter

qualitative

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys

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41 of 194

Substance Effect

Protective

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Target : C57B1/6 mouseBioassay : EAE (Experimental Autoimmune Encephalomyelitis) in mice is induced according to the following protocol ("Menges M. et al.", 2002, J. Exp. Med. 195:15-21). On day 0, C57B1/6 mice are treated subcutaneously with 50ug MOG peptide (myelinoligodendrogliaprotein-derived peptide) (Sigma Genosys). The peptide

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

dose-dependent proyection from the disease

Measurement Parameter

qualitative

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys 42 of 194

Substance Effect

Antiproliferative

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Bioassay : The question arose whether, in addition to kynurenine, other tryptophan metabolites also inhibit T cell response. Fig. 7 shows the effect of main IDO-induced tryptophan metabolites on T cell response. Peripheral lymphocytes were stimulated with anti-CD3 antibody for 3 days in the presence of various

Cells/Cell Lines

T lymphocyte

Substance RN

471803View in Reaxys

Substance Name

65199

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Patent; Terness, Peter, Priv. Doz. Dr.; Bauer, Thomas, Dipl.-Ing.; Opelz, Gerhard, Prof. Dr.; EP1369114; (2003); (A1) English, View in Reaxys 43 of 194

Substance Effect

Toxic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Effect : growth inhibitionTarget : Saccharomyces cerevisiae, eucaryotic yeastBioassay : minimum inhibition zone concentration (Cmiz); temp. 29 deg C; incubation time: overnight; agar plate; title comp. in DMSO-glycerol solvent

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

log 1/Cmiz: 0.79 (Cmiz in mM/l)

Measurement Parameter

qualitative

Liao; Wang; He; Yang; Bulletin of Environmental Contamination and Toxicology; vol. 56; nb. 3; (1996); p. 460 - 466, View in Reaxys 44 of 194

Substance Effect

Toxic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : bioluminescence inhibitionBioassay : pH 7

Biological Species/NCBI ID

Photobacterium phosphoreum

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Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

log 1/EC 50: 4.00 (mol/l)

Measurement Parameter

qualitative

Zhao; Yuan; Yang; Wang; Bulletin of Environmental Contamination and Toxicology; vol. 57; nb. 2; (1996); p. 242 - 249, View in Reaxys 45 of 194

Substance Effect

Toxic : Acute

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : mortalityTarget : Cyprinus carpiol, carpBioassay : pH 7

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

log 1/IC 50: < 2.43 (mol/l)

Measurement Parameter

qualitative

Zhao; Yuan; Yang; Wang; Bulletin of Environmental Contamination and Toxicology; vol. 57; nb. 2; (1996); p. 242 - 249, View in Reaxys 46 of 194

Substance Effect

Toxic : Acute

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : immobilizationBioassay : temp. 22 deg C; photoperiod: 14 hr daylight/10 hr darkness static conditions; 6-24 h old; n = 60; reconstituted hard water; pH 6.0-9.0

Biological Species/NCBI ID

Daphnia magna

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

log 1/IC 50: 3.47 at pH 6.0, 2.88 at pH 7.8, 2.47 at pH 9.0 (mol/l)

Measurement Parameter

qualitative

Zhao; Yuan; Yang; Wang; Bulletin of Environmental Contamination and Toxicology; vol. 57; nb. 2; (1996); p. 242 - 249, View in Reaxys 47 of 194

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Effect : SIR; lag period; SGR |bacteria; examination of Target : soil microbial community (SMC)Bioassay : soil was treated in 1980-1989 with metal-amended and unamended sludge (100 and 3000 m3/ha/year); soil samples were collected in 1995; microbial respiratory response (SIR); characterization of SMC; specific growth rate (SGR) mixture of title comp. with talcum powder (0.4 g) was incub. with preincub. soil equivalent at room temp. for up to 5 d in a glass tube; gas samples were taken and analyzed by GC/MS for CO2; principal component analysis (PCA)

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

highly sign. effect of title comp., treatment, and the interaction between title comp. and treatment was established from SGR and SIR analysis; SIR response increased at moderate level of metal contam. but decreased at highest level of soil contam.

Measurement Parameter

qualitative

Witter, Ernst; Gong, Ping; Baath, Erland; Marstorp, Hakan; Environmental Toxicology and Chemistry; vol. 19; nb. 8; (2000); p. 1983 - 1991, View in Reaxys 48 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

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Bioassay Details

Effect : |microorganisms Bioassay : turbidity (OD600) isolate LD2; carbazole-degrading bacerium isolated by enrichment from creosote-contaminated soil from a site in Edmonton, AB, Canada; nitrogen-free mineral medium; 28 deg C; in the dark

Biological Species/NCBI ID

Pseudomonas

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

250 mg/L

Qualitative Results

growth

Measurement Parameter

qualitative

Gieg, Lisa M.; Otter, Albin; Fedorak, Phillip M.; Environmental Science and Technology; vol. 30; nb. 2; (1996); p. 575 - 585, View in Reaxys 49 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

Effect of dermatitis on the 24 h urinary excretion (μmoles) of metabolite along the kynurine pathway after L-Tryptophan (1.426 μmole/animal) load in guinea pigs. Before dermatitis: 2.2; one day after induction: 1.4; six days after induction: 3.4.

Measurement Parameter

qualitative

Allegri; Costa; de Antoni; Baccichetti; Vanzan; Farmaco, Edizione Scientifica; vol. 36; nb. 7; (1981); p. 557 - 564, View in Reaxys 50 of 194

Substance Effect

Antiandrogen

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : methyltrienolone-induced androgen receptor activationTarget : pMMTV-lucSpecies : green monkeypMMTV-luc: plasmid which contains a luciferase reporter gene driven by the mouse mammary tumor virus long terminal repeats responsive to androgens

Biological Species/NCBI ID

Cercopithecidae

Cells/Cell Lines

CV-1 cell line

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

1000 µM

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Roell, Daniela; Roesler, Thomas W.; Degen, Stephanie; Matusch, Rudolf; Baniahmad, Aria; Chemical Biology and Drug Design; vol. 77; nb. 6; (2011); p. 450 - 459, View in Reaxys 51 of 194

Substance Effect

Carcinogenic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Target : F344 ratBioassay : when maximum RDS incidence was 2.0 percent or more it was considered to indicate positive response; less than 2 percent - negative 9 week old rats; oral or s.c. treatment; maximum tolerated dose (MTD) - half of LD50 and 1/2 MTD; single dose; replicate DNA synthesis (RDS) observed 24, 39, 48 h post-tr; liver perfused, minced; 2x104 cells 4 h at 37 deg C; in vivo-iv vitro RDS test

Substance RN

471803View in Reaxys

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Substance Name

65199

Substance Dose

1000 mg/kg

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Uno; Takasawa; Miyagawa; Inoue; Murata; Yoshikawa; Mutation Research - Genetic Toxicology; vol. 320; nb. 3; (1994); p. 189 - 205, View in Reaxys 52 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

no utilization as substrate by Citrobacter sp., strain 64-1 at 0.2percent (28 deg C, 24 h)

Measurement Parameter

qualitative

Yoshida, Hajime; Tani, Yoshiki; Yamada, Hideaki; Agricultural and Biological Chemistry; vol. 46; nb. 10; (1982); p. 2539 2546, View in Reaxys 53 of 194

54 of 194

Target Name

Histone deacetylase [human]

Target Synonyms

histone deacetylase

Target, Subunit, Species

Histone deacetylase [human]

Target Mutant/Chimera Details

Histone deacetylase [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Enzymology inhibition

Cells/Cell Lines

HeLa cell line

Cell Fraction

Nuclear extract

Substance RN

471803View in Reaxys

Substance Name

30 (Antranilic acid)

Substance Dose

500 ÂľM

Measurement Parameter

inhibition rate

Unit

%

Quantitative value

0

Measurement pX

1

Concomitants: Compound RN

8731971

Concomitants: Compound name

Boc-Lys(Ac)-7-amino-4-methylcoumarin

Concomitants: Compound role

SUB

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

471803View in Reaxys

Substance Name

65199

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Qualitative Results

no utilization as carbon source for the tryptophan production by mutant strain 7922 of Pseudomonas hydrogenothermophila TH-1; stimulation of the tryptophan excretion by adding to the autotrophic culture of strain 7922 at 0.05 - 0.1percent

Measurement Parameter

qualitative

Igarashi, Yasuo; Kodama, Tohru; Minoda, Yasuji; Agricultural and Biological Chemistry; vol. 46; nb. 6; (1982); p. 1525 1530, View in Reaxys 55 of 194

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Effect : |secretion stimulant Target : Suffolk sheepBioassay : plasma insulin (PI), glucagon (PG) assayed by radioimmunoassay; effect relative to benzoic acid effect (BA) assessed 1-2-y-old, 42-53 kg wethers cannulated through carotid artery (for blood sampling) and jugular vein (for title comp. administration); blood sampled at -15 - 120 min rel. to injection

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

625 µmol/kg

Substance Route of Adm.

intravenous administration

Qualitative Results

PI, PG increased (PI < BA, PG ca. = BA)

Measurement Parameter

qualitative

Mineo; Ohdate; Fukumura; Katayama; Onaga; Kato; Yanaihara; European Journal of Pharmacology; vol. 280; nb. 2; (1995); p. 149 - 154, View in Reaxys 56 of 194

Substance Effect

Anticonvulsant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : O2 pressurized into exposure chamber at rate of 1 atm/min and maintained at 6 atm.; rats kept under pressure until comatose rats weighing 250-300 g; 2 h after admin. of title comp. rats placed into hyperbaric chamber; chamber flushed for 5 min and pressurized with pure O2; rats' behavior observed; onset and duration of seizures and coma recorded

Biological Species/NCBI ID

rat

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

250 mg/kg

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Dale, William E; Dang, Yuhong; Amiridze, Nana; Brown, Olen R; Toxicology Letters; vol. 117; nb. 1-2; (2000); p. 37 - 43, View in Reaxys 57 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |biotransformation Target : bovine liver mitochondriaBioassay : reaction mixture contained: Tris (pH 8.0, 30 deg C), Mn(2+), CoA, KCl, <η-33P>ATP, title comp. and enzyme; aliquots removed at timed intervals; addition of activated charcoal to scavenge unreacted <η-33P>ATP; scintillation counting carboxylic acid:CoA ligase activity measured; XL-I, XL-II and XL-III ligases for activity toward title comp.; <η-33P>ATP assay (<η-33P>pyrophosphate measured during the ligase reaction); HPLC analysis

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

200 µM

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Qualitative Results

title comp. specificity of the XL-I, XL-II and XL-III ( percent): 7, 15 and 14 (benzoate: 100, 100 and 100, resp.)

Measurement Parameter

qualitative

Vessey; Kelley; Lau; Journal of biochemical and molecular toxicology; vol. 12; nb. 3; (1998); p. 151 - 155, View in Reaxys 58 of 194

59 of 194

Target Name

Cyclooxygenase [bovine]

Target Synonyms

cyclooxygenase

Target, Subunit, Species

Cyclooxygenase [bovine]

Target Mutant/Chimera Details

Cyclooxygenase [bovine]:Wild

Target Species (Bioactivity)

bovine

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

bovine

Organs/Tissues

seminal vesicle

Cell Fraction

Microsome

Substance RN

471803View in Reaxys

Substance Name

8

Measurement Parameter

IC50

Unit

ÂľM

Quantitative value

3700

Measurement pX

2.43

Metabolite RN

2225571

Metabolite name

Prostaglandin F2alpha

Concomitants: Compound RN

8175219; 1913991; 1913991

Concomitants: Compound name

Epinephrine bitartrate; Arachidonic acid; [3H]-Arachidonic acid

Concomitants: Compound role

COM; PSU; MAR

Target Name

Cyclooxygenase [bovine]

Target Synonyms

cyclooxygenase

Target, Subunit, Species

Cyclooxygenase [bovine]

Target Mutant/Chimera Details

Cyclooxygenase [bovine]:Wild

Target Species (Bioactivity)

bovine

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

bovine

Organs/Tissues

seminal vesicle

Cell Fraction

Microsome

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60 of 194

61 of 194

Substance RN

471803View in Reaxys

Substance Name

8

Measurement Parameter

IC50

Unit

µM

Quantitative value

3500

Measurement pX

2.46

Metabolite RN

2224724

Metabolite name

Prostaglandin E2

Concomitants: Compound RN

8175219; 1913991; 1913991

Concomitants: Compound name

Epinephrine bitartrate; Arachidonic acid; [3H]-Arachidonic acid

Concomitants: Compound role

COM; PSU; MAR

Target Name

Transthyretin

Target Synonyms

attr; crocttr; palb; prealbumin; t-t3bp; tadpole t3-binding protein; tbpa; thbp; transthyretin; tt; ttr; xttr

Target, Subunit, Species

Transthyretin

Target Mutant/Chimera Details

Transthyretin:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : transthyretin (TTR) amyloid fibril formation; inhibition ofBioassay : Fibril Formation Assay; Wild type TTR was purified from an Escherichia coli expression system as described previously (Lashuel, H. A.; et al. Biochemistry 1999, 38, 13560-13573). Disposable cuvettes (Fisher No.14 385 938) were charged with 495 μL of a 0.4 mg/mL stock of TTR (7.2 μM) in 10 mM phosphate

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

the extent of fibril formation in the presence of title compound (7.2 μmol/l): 98 %

Measurement Parameter

qualitative

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : buds/plant thinning Species : chrysanthemum, cv Herby Mixed B. To demonstrate the benefits to flower bud thinning of applying agrochemically acceptable additives in combination with either anthranilic acid or anthranilic acid plus acetaminophenCultural Details: plants were sown in a commercial seed compost and then "pricked out" into a professional grade all-purpose

Substance RN

471803View in Reaxys

Substance Name

AN

Qualitative Results

mean number of buds/plant = 2.3

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; DECKERS, Tom; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116256; (2010); (A2) English, View in Reaxys 62 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : buds/plant thinning Species : chrysanthemum, cv Herby Mixed EXAMPLE 2 - CHRYSANTHEMUM - cv Herby MixedA. To demonstrate the benefits to flower bud thinning of applying an auxin/auxin precursor or auxin/auxin precursor plus acetaminophen.Cultural Details: plants

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were sown in a commercial seed compost and then "pricked out" into a professional grade all-purpose Substance RN

471803View in Reaxys

Substance Name

AN

Qualitative Results

mean number of buds/plant = 2.3

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; DECKERS, Tom; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116256; (2010); (A2) English, View in Reaxys 63 of 194

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Effect : plant growth; regulation of The present invention can also be used on pre-harvest plants and post-harvest crops such as:Maize, wheat, rye, oat, triticale, rice, barley, soybean, peanut, cotton, oilseed rape, sugar cane, bamboo, millet, sesame, jute, canola, coconut, manihot, sunflower, tobacco, ground nuts, peanuts, sorghum, oil

Biological Species/NCBI ID

soybean

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

rooting improvement (%) = 2; final seed yield increase (%) = 5

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116259; (2010); (A2) English, View in Reaxys 64 of 194

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Effect : plant growth; regulation of Species : navy beanThe present invention can also be used on pre-harvest plants and post-harvest crops such as:Maize, wheat, rye, oat, triticale, rice, barley, soybean, peanut, cotton, oilseed rape, sugar cane, bamboo, millet, sesame, jute, canola, coconut, manihot, sunflower, tobacco, ground nuts, peanuts, sorghum, oil

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

rooting improvement (%) = 3; final seed yield increase (%) = 7

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116259; (2010); (A2) English, View in Reaxys 65 of 194

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Effect : plant growth; regulation of Species : winter wheatThe present invention can also be used on pre-harvest plants and post-harvest crops such as:Maize, wheat, rye, oat, triticale, rice, barley, soybean, peanut, cotton, oilseed rape, sugar cane, bamboo, millet, sesame, jute, canola, coconut, manihot, sunflower, tobacco, ground nuts, peanuts, sorghum, oil

Substance RN

471803View in Reaxys

Substance Name

65199

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116259; (2010); (A2) English, View in Reaxys 66 of 194

Bioassay Category

In Vitro (Efficacy)

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Bioassay Name

In Vitro (others)

Bioassay Details

Effect : grain yield; effect on The following mixtures of the compound or composition of the present invention are particularly mentioned: 1. The addition of Anthranilic acid (AN), acetaminophen (AC) and an additive (iv) (ADD).2. The addition of Anthranilic acid (AN), acetaminophen (AC), an additive (iv) (ADD) and thiosulphate.3.

Biological Species/NCBI ID

Phaseolus vulgaris

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

grain yield (%) = 99.7 - 101.2

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116260; (2010); (A2) English, View in Reaxys 67 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : grain yield; effect on Species : winter barley The following mixtures of the compound or composition of the present invention are particularly mentioned: 1. The addition of Anthranilic acid (AN), acetaminophen (AC) and an additive (iv) (ADD).2. The addition of Anthranilic acid (AN), acetaminophen (AC), an additive (iv) (ADD) and thiosulphate.3.

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

grain yield (%) = 96.8 - 98.8

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116260; (2010); (A2) English, View in Reaxys 68 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : grain yield; effect on Species : winter wheat The following mixtures of the compound or composition of the present invention are particularly mentioned: 1. The addition of Anthranilic acid (AN), acetaminophen (AC) and an additive (iv) (ADD).2. The addition of Anthranilic acid (AN), acetaminophen (AC), an additive (iv) (ADD) and thiosulphate.3.

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

grain yield (%) = 98.7 - 99.7

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116260; (2010); (A2) English, View in Reaxys 69 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : Petal abscission; delaying of 1. PAPAVER Nudicaule (Iceland Poppy)Cultural Details: plants were sown in a commercial seed compost and then "pricked out" into a professional grade all-purpose compost in 9cm pots set out in a randomized block design. Normal daylight plus supplementary lighting to provide a minimum of 10 hours per

Biological Species/NCBI ID

Papaver nudicaule

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

Improvement (%) = 23.9 at a dose 0.01 mol/l, 24.5 at a dose 1 g/l

Measurement Parameter

qualitative

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Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard, Henry; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116263; (2010); (A2) English, View in Reaxys 70 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : Petal abscission; delaying of 2. PAPAVER Nudicaule (Iceland Poppy)To demonstrate the benefits to flower longevity (delay of petal abscission) from applying anthranilic acid (1 gram per litre solution, applied in 250 litres water per hectare, = Ig active total per hectare) or anthranilic acid plus acetaminophen (1 gram per litre

Biological Species/NCBI ID

Papaver nudicaule

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

Improvement (%) = 36.4 at a dose 1 g/l

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard, Henry; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116263; (2010); (A2) English, View in Reaxys 71 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : shelf-life; improvement of Species : radish - cv F1 Apache 1. RADISH - cv F 1 ApacheTo demonstrate the benefits to post-harvest shelf-life from adding an auxin/auxin precursor or auxin/ auxin precursor plus acetaminophen.Cultural Details: plants were sown in a commercial seed compost and then "pricked out" into a professional grade all-purpose compost in 9cm

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

Shelf-life improvement (%) = 36.5 at a dose 0.01 mol/l, 44.1 at a dose 1 g/l

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard, Henry; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116263; (2010); (A2) English, View in Reaxys 72 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : shelf-life; improvement of Species : radish - cv F1 Apache RADISH - cv F 1 ApacheTo demonstrate the benefits to post-harvest shelf-life from adding an auxin/auxin precursor or auxin/ auxin precursor plus acetaminophen.Cultural Details: plants were sown in a commercial seed compost and then "pricked out" into a professional grade all-purpose compost in 9cm pots

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

Shelf-life improvement (%) = 22.2 at a dose 0.01 mol/l

Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard, Henry; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116263; (2010); (A2) English, View in Reaxys 73 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : shelf-life; improvement of Species : radish - cv F1 Apache RADISH - cv Fl ApacheTo demonstrate the benefits to post-harvest shelf life from applying anthranilic acid (1 gram per litre solution, applied in 250 litres water per hectare, = Ig active total per hectare) or anthranilic acid plus acetaminophen (1 gram per litre and 3 gram per litre solution respectively,

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

Shelf-life improvement (%) = 61 at a dose 1 g/l

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Measurement Parameter

qualitative

Patent; TAMINCO, NAAMLOZE VENNOOTSCHAP; WILLIAMS, Richard, Henry; ROOSE, Peter; DE SAEGHER, Johan Josef; WO2010/116263; (2010); (A2) English, View in Reaxys 74 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; examination of Target : recombinant HMWP2 proteinBioassay : ESI-Q-FTMS: electrospray ionization combined with quadrupole/Fourier-Transform mass spectrometry YbtE, Sfp, coenzyme A was examined; title comp. used as a substrate; incorporation of title comp. into ArCP active site assayed; Tris-HCl buffer; in the presence of L-cysteine; 30 deg C; 30 min incubation; reconstruction of HMWP2 analyzed by ESI-Q-FTMS

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

2 mM

Qualitative Results

0 percent of title comp. was loaded into enzyme active site

Measurement Parameter

qualitative

McLoughlin, Shaun M.; Kelleher, Neil L.; Journal of the American Chemical Society; vol. 126; nb. 41; (2004); p. 13265 13275, View in Reaxys 75 of 194

Substance Effect

Antibiotic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Target : Escherichia coli CMCC B44103Bioassay : control: chloramphenicol (positive); IC50: title comp. concentration causing 50% decrease of the bacteria growth rate bacteria incubated with title comp. at 37 deg C; bacterial growth determined by heat-flow microcalorimeter; metabolic thermogenic curves recorded

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

25 mg/L

Measurement Parameter

IC50

Unit

mg/L

Quantitative value

74.9

Measurement pX

3.26

Kong, Weijun; Zhao, Yanling; Shan, Limei; Xiao, Xiaohe; Guo, Weiying; Biological and Pharmaceutical Bulletin; vol. 31; nb. 7; (2008); p. 1301 - 1305, View in Reaxys 76 of 194

Target Name

Monocarboxylate transporter 1 [human]

Target Synonyms

mct 1; mct1; monocarboxylate transporter 1; slc16a1; solute carrier family 16 member 1

Target Uniprot ID

p53985

Target, Subunit, Species

Monocarboxylate transporter 1 [human]

Target Mutant/Chimera Details

Monocarboxylate transporter 1 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Substance Action on Target

Inhibitor

Bioassay Category

Metabolism/Transport

Bioassay Name

Flux uptake

Cells/Cell Lines

Caco-2 cell line

Substance RN

471803View in Reaxys

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77 of 194

Substance Name

2-Aminobenzoate

Substance Dose

10 mM

Measurement Parameter

inhibition rate

Unit

%

Quantitative value

84.6

Measurement pX

2.74

Concomitants: Compound RN

1750447

Concomitants: Compound name

[3H]-Valproic acid

Concomitants: Compound role

SUB

Substance Effect

Toxic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Effect : growthBioassay : control experiment: MSM with 30 mg/L yeast extract inoculation in mineral salt medium (MSM) with 0.54 mmol/L (NH4)2SO4 and 30 mg/L yeast extract

Biological Species/NCBI ID

Arthrobacter

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

100 mg/L

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

O'Loughlin, Edward J.; Sims, Gerald K.; Traina, Samuel J.; Biodegradation; vol. 10; nb. 2; (1999); p. 93 - 104, View in Reaxys 78 of 194

Bioassay Category

Metabolism/Transport

Bioassay Name

Flux uptake

Bioassay Details

Effect : inhibition of phenylacetic acid uptake |transport Bioassay : title compound was added 2 minutes before labeled PhAc competition experiment with PhAc-induced mycelia and excess of title compound; 10 mg of dry wt (equivalent to 2.5 mg of protein) resuspended in 1.4 ml of 0.05 M phosphate buffer; pH 7.0; 37 deg C; 51.4 ÎźM PhAc was added; radioactive control

Biological Species/NCBI ID

Aspergillus nidulans

Substance RN

471803View in Reaxys

Substance Name

65199

Qualitative Results

PhAc uptake 75 percent; control (without addition) 100 percent

Measurement Parameter

qualitative

Fernandez-Canon, Jose M.; Luengo, Jose M.; Journal of Antibiotics; vol. 50; nb. 1; (1997); p. 45 - 52, View in Reaxys 79 of 194

Target Name

Prostaglandin G/H synthase 1 [sheep]

Target Synonyms

cox-1; cox1; cyclooxygenase-1; pgh synthase 1; pghs-1; phs 1; prostaglandin g/h synthase 1; prostaglandin h2 synthase 1; prostaglandin-endoperoxide synthase 1; ptgs1

Target Uniprot ID

p05979

Target PDB ID

1cqe; 1diy; 1djj; 1ebv; 1eqg; 1eqh; 1fe2; 1ht5; 1ht8; 1igx; 1igz; 1pge; 1pgf; 1pgg; 1prh; 1pth; 1q4g; 1u67; 2ayl; 2oye; 2oyu; 3kk6; 3n8v; 3n8w; 3n8x; 3n8y; 3n8z; 4o1z

Target, Subunit, Species

Prostaglandin G/H synthase 1 [sheep]

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Target Mutant/Chimera Details

Prostaglandin G/H synthase 1 [sheep]:Wild

Target Species (Bioactivity)

sheep

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; inhib. of Bioassay : TMPD: N,N,N',N'-tetra-p-methylphenylenediamine dihydrochloride; vehicle as control; duplicate experiment in vitro; peroxidase activity measured; title comp. incubated with 23 nM of enzyme for 1 min at 37 deg C in a solution of Tris (pH 8.0) and 1 μmol/l haematin; reaction initiated with 200 μmol/l TMPD and 200 μmol/l H2O2; determined at 611 nm

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

0.0100000 µM

Measurement Parameter

IC50

Unit

µM

Quantitative value

1000

Measurement pX

3

Lee, Jean; Chubb, Anthony J.; Moman, Edelmiro; McLoughlin, Brian M.; Sharkey, Caroline T.; Kelly, John G.; Nolan, Kevin B.; Devocelle, Marc; Fitzgerald, Desmond J.; Organic and Biomolecular Chemistry; vol. 3; nb. 20; (2005); p. 3678 3685, View in Reaxys 80 of 194

Target Name

Prostaglandin G/H synthase 2

Target Synonyms

cef-147; cox-2; cox2; cyclooxygenase-2; glucocorticoid-regulated inflammatory cyclooxygenase; gripghs; macrophage activation-associated marker protein p71/73; mitogen-inducible pghs; pes-2; pgh synthase 2; pghs-2; pghs-b; phs ii; prostaglandin g/h synthase 2; prostaglandin h2 synthase 2; prostaglandin-endoperoxide synthase 2; ptgs2; tis10; tis10 protein

Target, Subunit, Species

Prostaglandin G/H synthase 2

Target Mutant/Chimera Details

Prostaglandin G/H synthase 2:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; inhib. of Bioassay : TMPD: N,N,N',N'-tetra-p-methylphenylenediamine dihydrochloride; vehicle as control; duplicate experiment in vitro; peroxidase activity measured; title comp. incubated with 365 nM of enzyme for 1 min at 37 deg C in a solution of Tris (pH 8.0) and 1 μmol/l haematin; reaction initiated with 200 μmol/l TMPD and 200 μmol/l H2O2; determined at 611 nm

Substance RN

471803View in Reaxys

Substance Name

65199

Substance Dose

0.0100000 µM

Measurement Parameter

IC50

Unit

µM

Quantitative value

1000

Measurement pX

3

Lee, Jean; Chubb, Anthony J.; Moman, Edelmiro; McLoughlin, Brian M.; Sharkey, Caroline T.; Kelly, John G.; Nolan, Kevin B.; Devocelle, Marc; Fitzgerald, Desmond J.; Organic and Biomolecular Chemistry; vol. 3; nb. 20; (2005); p. 3678 3685, View in Reaxys 81 of 194

Substance Effect

Antioxidant

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

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Bioassay Details

Effect : radical scavenging activityBioassay : 2,2-diphenyl-1-picrylhydrazyl radical

Substance RN

471803View in Reaxys

Substance Name

1

Measurement Parameter

ED50

Unit

µM

Quantitative value

1434.8

Measurement pX

2.84

Sugiyama, Yasumasa; Hirota, Akira; Bioscience, Biotechnology and Biochemistry; vol. 73; nb. 12; (2009); p. 2731 - 2734, View in Reaxys 82 of 194

83 of 194

Target Name

D-amino-acid oxidase [human]

Target Synonyms

d-amino-acid oxidase; daao; damox; dao

Target Uniprot ID

p14920

Target PDB ID

2du8; 2e48; 2e49; 2e4a; 2e82; 2gnz; 3cuk; 3g3e; 3w4i; 3w4j; 3w4k; 3znn; 3zno; 3znp; 3znq; 4qfc; 4qfd

Target, Subunit, Species

D-amino-acid oxidase [human]

Target Mutant/Chimera Details

D-amino-acid oxidase [human]:Wild

Target Species (Bioactivity)

human

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of compound towards human D-amino acid oxidase was determined

Biological Species/NCBI ID

human

Substance RN

471803View in Reaxys

Measurement Parameter

Kd (dissociation constant)

Unit

µM

Qualitative value

=

Quantitative value

40

Measurement pX

4.4

Target Name

Aldo-keto reductase family 1 member C1 [human]

Target Synonyms

20-alpha-hsd; 20-alpha-hydroxysteroid dehydrogenase; akr1c1; aldo-keto reductase family 1 member c1; chlordecone reductase homolog hakrc; dd1/dd2; ddh; ddh1; dihydrodiol dehydrogenase 1/2; hbab; high-affinity hepatic bile acid-binding protein; indanol dehydrogenase; trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

Target Uniprot ID

q04828

Target PDB ID

1mrq; 3c3u; 3gug; 3nty; 4yvp

Target, Subunit, Species

Aldo-keto reductase family 1 member C1 [human]

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C1 [human]:Wild

Target Species (Bioactivity)

human

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of human hydroxysteroid dehydrogenase AKR1C1 was determined by measuirng oxidation of 1-acenaphthenol (30 uM) in the presence of the coenzyme NAD+ at a compound concentration of 100 uM in 100 mM phosphate buffer, pH 6.5

Biological Species/NCBI ID

human

Substance RN

471803View in Reaxys

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84 of 194

85 of 194

Measurement Parameter

inhibition rate

Unit

%

Measurement Object

Percent inhibition

Qualitative value

=

Quantitative value

24.1

Deviation

6

Concomitants: Compound name

NAD+

Concomitants: Compound role

COM

Target Name

Aldo-keto reductase family 1 member C1 [human]

Target Synonyms

20-alpha-hsd; 20-alpha-hydroxysteroid dehydrogenase; akr1c1; aldo-keto reductase family 1 member c1; chlordecone reductase homolog hakrc; dd1/dd2; ddh; ddh1; dihydrodiol dehydrogenase 1/2; hbab; high-affinity hepatic bile acid-binding protein; indanol dehydrogenase; trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

Target Uniprot ID

q04828

Target PDB ID

1mrq; 3c3u; 3gug; 3nty; 4yvp

Target, Subunit, Species

Aldo-keto reductase family 1 member C1 [human]

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C1 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound against human hydroxysteroid dehydrogenase AKR1C1 was determined by measuirng oxidation of 1-acenaphthenol (30 uM) in the presence of the coenzyme NAD+ in 100 mM phosphate buffer, pH 6.5; ND = Not determined

Biological Species/NCBI ID

human

Substance RN

471803View in Reaxys

Qualitative Results

ND = Not determined

Measurement Parameter

qualitative

Measurement Object

IC50

Concomitants: Compound name

NAD+

Concomitants: Compound role

COM

Bioassay Category

Pharmacokinetic

Bioassay Details

Percent average recovery of compound in sham operated rat urine was determined after 6 h of oral administration at 10 mg/kg

Substance RN

471803View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

recovery

Qualitative value

=

Quantitative value

60

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DeBenneville; Godfrey; Sims; Journal of medicinal chemistry; vol. 15; nb. 11; (1972); p. 1098 - 1100, View in Reaxys 86 of 194

Bioassay Category

Pharmacokinetic

Bioassay Details

Percent average recovery of compound in sham operated rat urine was determined after 6 h of oral administration at 10 mg/kg

Biological Species/NCBI ID

rat

Substance RN

471803View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

recovery

Qualitative value

=

Quantitative value

60

DeBenneville; Godfrey; Sims; Journal of medicinal chemistry; vol. 15; nb. 11; (1972); p. 1098 - 1100, View in Reaxys 87 of 194

Target Name

DNA topoisomerase 2 [human]

Target Synonyms

dna topoisomerase 2; top2b

Target Uniprot ID

b4dkd0; e9pcy5; j3ktb7; q71uh4

Target, Subunit, Species

DNA topoisomerase 2 [human]

Target Mutant/Chimera Details

DNA topoisomerase 2 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory activity of the compound against human DNA topoisomerase II upon incubation in 30 mM Tris-HCl buffer pH 7.6 at 37 degree C for 30 minutes at a 100 uM concentration of compound

Biological Species/NCBI ID

human

Substance RN

471803View in Reaxys

Substance Dose

100 Âľm

Qualitative Results

NA

Measurement Parameter

Activity

Qualitative value

NA

Measurement pX

1

Choo, Hea-Young Park; Kim, Mihyun; Lee, Sang Kook; Kim, Sang Woong; Chung, In Kwon; Bioorganic and medicinal chemistry; vol. 10; nb. 3; (2002); p. 517 - 523, View in Reaxys 88 of 194

Target Name

DNA topoisomerase 2

Target Synonyms

dna topoisomerase 2; dna topoisomerase ii; pstopii; top; top2; topii; topoii; tor3

Target, Subunit, Species

DNA topoisomerase 2

Target Mutant/Chimera Details

DNA topoisomerase 2:Wild

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory activity of the compound against human DNA topoisomerase II upon incubation in 30 mM Tris-HCl buffer pH 7.6 at 37 degree C for 30 minutes at a 100 uM concentration of compound

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Substance RN

471803View in Reaxys

Substance Dose

100 µm

Qualitative Results

NA

Measurement Parameter

Activity

Qualitative value

NA

Measurement pX

1

Choo, Hea-Young Park; Kim, Mihyun; Lee, Sang Kook; Kim, Sang Woong; Chung, In Kwon; Bioorganic and medicinal chemistry; vol. 10; nb. 3; (2002); p. 517 - 523, View in Reaxys 89 of 194

Target Name

DNA topoisomerase 1

Target Synonyms

dna topoisomerase 1; dna topoisomerase i; maintenance of killer protein 1; mak1; omega-protein; pfu topa intein; relaxing enzyme; supx; swivelase; top-1; top1; topa; topi; topoi; topx; untwisting enzyme

Target, Subunit, Species

DNA topoisomerase 1

Target Mutant/Chimera Details

DNA topoisomerase 1:Wild

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory activity of the compound against human DNA topoisomerase I upon incubation in 30 mM Tris-HCl buffer pH 7.6 at 37 degree C for 30 minutes at a 100 uM concentration of compound

Substance RN

471803View in Reaxys

Substance Dose

100 µm

Qualitative Results

NA

Measurement Parameter

Activity

Qualitative value

NA

Measurement pX

1

Choo, Hea-Young Park; Kim, Mihyun; Lee, Sang Kook; Kim, Sang Woong; Chung, In Kwon; Bioorganic and medicinal chemistry; vol. 10; nb. 3; (2002); p. 517 - 523, View in Reaxys 90 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Cytotoxic activity of the compound against human lung carcinoma cells (A549) upon incubation at 37 degree C for 30 min by using Sulforhodamine B (SRB) assay; not active

Biological Species/NCBI ID

human

Cells/Cell Lines

A-549 cell line

Substance RN

471803View in Reaxys

Qualitative Results

NA

Measurement Parameter

Activity

Measurement Object

cytotoxic activity

Qualitative value

NA

Measurement pX

1

Choo, Hea-Young Park; Kim, Mihyun; Lee, Sang Kook; Kim, Sang Woong; Chung, In Kwon; Bioorganic and medicinal chemistry; vol. 10; nb. 3; (2002); p. 517 - 523, View in Reaxys 91 of 194

Target Name

DNA topoisomerase 1 [human]

Target Synonyms

dna topoisomerase 1; dna topoisomerase i; top1

Target Uniprot ID

p11387

Target PDB ID

1a31; 1a35; 1a36; 1ej9; 1k4s; 1k4t; 1lpq; 1nh3; 1r49; 1rr8; 1rrj; 1sc7; 1seu; 1t8i; 1tl8

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Target, Subunit, Species

DNA topoisomerase 1 [human]

Target Mutant/Chimera Details

DNA topoisomerase 1 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory activity of the compound against human DNA topoisomerase I upon incubation in 30 mM Tris-HCl buffer pH 7.6 at 37 degree C for 30 minutes at a 100 uM concentration of compound

Biological Species/NCBI ID

human

Substance RN

471803View in Reaxys

Substance Dose

100 µm

Qualitative Results

NA

Measurement Parameter

Activity

Qualitative value

NA

Measurement pX

1

Choo, Hea-Young Park; Kim, Mihyun; Lee, Sang Kook; Kim, Sang Woong; Chung, In Kwon; Bioorganic and medicinal chemistry; vol. 10; nb. 3; (2002); p. 517 - 523, View in Reaxys 92 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vivo effect of compound on 30 min light-induced acute retinal degeneration in Abca4-/- Rdh8-/mouse after oral administration of 400 mg/kg dose was determined by measuring the rhodopsin level after light expose; n = 3

Biological Species/NCBI ID

mouse

Cells/Cell Lines

retina cell

Substance RN

471803View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

RHODOPSIN LEVELS not calculated

Measurement Parameter

qualitative

Measurement Object

RHODOPSIN LEVELS

Maeda, Akiko; Golczak, Marcin; Chen, Yu; Okano, Kiichiro; Kohno, Hideo; Shiose, Satomi; Ishikawa, Kaede; Harte, William; Palczewska, Grazyna; Maeda, Tadao; Palczewski, Krzysztof; Nature Chemical Biology; vol. 8; nb. 2; (2012); p. 170 - 178, View in Reaxys 93 of 194

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of the compound in Abca4-/- Rdh8-/- mouse after oral administration was determined

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

LD50

Unit

mg/kg

Measurement Object

LD50

Quantitative value

2000

Maeda, Akiko; Golczak, Marcin; Chen, Yu; Okano, Kiichiro; Kohno, Hideo; Shiose, Satomi; Ishikawa, Kaede; Harte, William; Palczewska, Grazyna; Maeda, Tadao; Palczewski, Krzysztof; Nature Chemical Biology; vol. 8; nb. 2; (2012); p. 170 - 178, View in Reaxys

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94 of 194

Bioassay Category

In Vivo (Animal models)

Bioassay Details

In vivo effect of compound on 30 min light-induced acute retinal degeneration in Abca4-/- Rdh8-/mouse after oral administration of 400 mg/kg dose was determined by measuring the optical coherence tomography score; n = 3

Biological Species/NCBI ID

mouse

Cells/Cell Lines

retina cell

Substance RN

471803View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

number

Measurement Object

OPTICAL COHERENCE TOMOGRAPHY SCORE

Quantitative value

2.7

Maeda, Akiko; Golczak, Marcin; Chen, Yu; Okano, Kiichiro; Kohno, Hideo; Shiose, Satomi; Ishikawa, Kaede; Harte, William; Palczewska, Grazyna; Maeda, Tadao; Palczewski, Krzysztof; Nature Chemical Biology; vol. 8; nb. 2; (2012); p. 170 - 178, View in Reaxys 95 of 194

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Intraperitoneal lethal dose

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

=

Quantitative value

2500

Material Safety Data Sheet, View in Reaxys 96 of 194

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Oral lethal dose

Biological Species/NCBI ID

rat

Substance RN

471803View in Reaxys

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

=

Quantitative value

4549

Material Safety Data Sheet, View in Reaxys 97 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effective concentration of the compound against HCV-796-associated resistant replicon variant 1b BB7 wild type upon incubation for 3 days at 37 degree C; n=2

Biological Species/NCBI ID

Hepatitis C virus

Substance RN

471803View in Reaxys

Measurement Parameter

EC50

Unit

µM

Measurement Object

Effective concentration

Qualitative value

=

Quantitative value

0.7

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Measurement pX

6.15

Howe, Anita Y. M.; Cheng, Huiming; Johann, Stephen; Mullen, Stanley; Chunduru, Srinivas K.; Young, Dorothy C.; Bard, Joel; Chopra, Rajiv; Krishnamurthy, Girija; Mansour, Tarek; O'Connell, John; Antimicrobial Agents and Chemotherapy; vol. 52; nb. 9; (2008); p. 3327 - 3338, View in Reaxys 98 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effective concentration of the compound against HCV-796-associated resistant replicon variant 796R (10 uM) upon incubation for 3 days at 37 degree C; n=3

Biological Species/NCBI ID

Hepatitis C virus

Substance RN

471803View in Reaxys

Measurement Parameter

EC50

Unit

ÂľM

Measurement Object

Effective concentration

Qualitative value

=

Quantitative value

13

Deviation

1

Measurement pX

4.89

Howe, Anita Y. M.; Cheng, Huiming; Johann, Stephen; Mullen, Stanley; Chunduru, Srinivas K.; Young, Dorothy C.; Bard, Joel; Chopra, Rajiv; Krishnamurthy, Girija; Mansour, Tarek; O'Connell, John; Antimicrobial Agents and Chemotherapy; vol. 52; nb. 9; (2008); p. 3327 - 3338, View in Reaxys 99 of 194

100 of 194

Target Name

3-hydroxyanthranilate 3,4-dioxygenase [bovine]

Target Synonyms

3-hao; 3-hydroxyanthranilate 3,4-dioxygenase; 3-hydroxyanthranilate oxygenase; 3-hydroxyanthranilic acid dioxygenase; haao; had

Target Uniprot ID

q0vca8

Target, Subunit, Species

3-hydroxyanthranilate 3,4-dioxygenase [bovine]

Target Mutant/Chimera Details

3-hydroxyanthranilate 3,4-dioxygenase [bovine]:Wild

Target Species (Bioactivity)

bovine

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound towards cow liver 3-hydroxyanthranilic acid 3,4-dioxygenase (pI 5.6) upon incubation in 0.05 M of Tris-maleate buffer, pH 7.5

Biological Species/NCBI ID

bovine

Substance RN

471803View in Reaxys

Measurement Parameter

Ki (inhibition constant)

Unit

mM

Qualitative value

=

Quantitative value

6.5

Measurement pX

2.19

Target Name

Anthranilate 3-Monooxygenase [Trichosporon cutaneum]

Target Synonyms

anthranilate 3-monooxygenase

Target, Subunit, Species

Anthranilate 3-Monooxygenase [Trichosporon cutaneum]

Target Mutant/Chimera Details

Anthranilate 3-Monooxygenase [Trichosporon cutaneum]:Wild

Target Species (Bioactivity)

Trichosporon cutaneum

Bioassay Category

In Vitro (Efficacy)

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101 of 194

Bioassay Details

Ratio of O2 consumed to that of NADPH (110 uM) consumed by Trichosporon cutaneum ATCC 5809 Anthranilate hydroxylase (0.36-1.8 units) in presence of compound (250 uM) in PBE measured as H2O2 detected

Biological Species/NCBI ID

Trichosporon cutaneum ATCC 5809

Substance RN

471803View in Reaxys

Measurement Parameter

ratio

Measurement Object

Ratio of O2 consumed to that of NADPH consumed

Quantitative value

0.94

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound (0.25%) on the release of nitric oxide (NO) in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g); Control = 6.1 +/- 3.3 mg/L

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

Activity

Unit

mg/L

Measurement Object

release

Qualitative value

=

Quantitative value

36.3

Deviation

9.5

Concomitants: Compound name

LPS (0.2 mL/20 g)

Concomitants: Compound role

COM

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 102 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound on endotoxin (40 EU/kg) induced fever in rabbit (n = 5) measured by temperature reactionindex in 4 h at a dose of 5 mL/kg; Positive control = 3.28 +/- 0.42 cm2, Negative control = 0.63 +/- 0.15 cm2

Biological Species/NCBI ID

Leporidae

Substance RN

471803View in Reaxys

Unit

cm2

Measurement Object

Temperature reactionindex

Qualitative value

=

Quantitative value

1.26

Deviation

0.18

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 103 of 194

Target Name

Anthranilate 3-Monooxygenase [Trichosporon cutaneum]

Target Synonyms

anthranilate 3-monooxygenase

Target, Subunit, Species

Anthranilate 3-Monooxygenase [Trichosporon cutaneum]

Target Mutant/Chimera Details

Anthranilate 3-Monooxygenase [Trichosporon cutaneum]:Wild

Target Species (Bioactivity)

Trichosporon cutaneum

Copyright Š 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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104 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Initial rate of NADPH (500 uM) consumed by Trichosporon cutaneum ATCC 5809 Anthranilate hydroxylase (0.055 units) in presence of compound (300 uM) in PBE at 25 degree C measured by disappearance of NADPH

Biological Species/NCBI ID

Trichosporon cutaneum ATCC 5809

Substance RN

471803View in Reaxys

Qualitative Results

Initial rate not calculated

Measurement Parameter

qualitative

Measurement Object

initial rate

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound on endotoxin (40 EU/kg) induced fever in rabbit (n = 5) measured by basal body temperature at a dose of 5 mL/kg; Positive control = 39.04 +/- 0.18 degree C, Negative control = 39.32 +/- 0.36 degree C

Biological Species/NCBI ID

Leporidae

Substance RN

471803View in Reaxys

Measurement Parameter

body temperature

Unit

°C

Measurement Object

Basal body temperature

Quantitative value

39.16

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 105 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of nitric oxide (NO) levels in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g) upon treatment with the compound at 0.125% concentration

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

inhibition rate

Unit

%

Measurement Object

Percent inhibition

Qualitative value

=

Quantitative value

15.16

Concomitants: Compound name

LPS (0.2 mL/20 g)

Concomitants: Compound role

COM

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 106 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound (0.5%) on the release of tumor necrosis factor-alpha (TNF-alpha) in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g); Control = 39.8 +/- 5.4 ng/L

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Copyright © 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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Measurement Parameter

Activity

Unit

ng/L

Measurement Object

release

Qualitative value

=

Quantitative value

126.6

Deviation

12.3

Concomitants: Compound name

LPS (0.2 mL/20 g)

Concomitants: Compound role

COM

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 107 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound (0.25%) on the release of tumor necrosis factor-alpha (TNF-alpha) in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g); Control = 39.8 +/- 5.4 ng/L

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

Activity

Unit

ng/L

Measurement Object

release

Qualitative value

=

Quantitative value

213.5

Deviation

58.6

Concomitants: Compound name

LPS (0.2 mL/20 g)

Concomitants: Compound role

COM

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 108 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound on endotoxin (40 EU/kg) induced fever in rabbit (n = 5) measured by maximum rising temperature at a dose of 5 mL/kg; Positive control = 1.21 +/- 0.32 degree C, Negative control = 0.26 +/- 0.12 degree C

Biological Species/NCBI ID

Leporidae

Substance RN

471803View in Reaxys

Qualitative Results

DTmax not calculated

Measurement Parameter

qualitative

Measurement Object

DTmax

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 109 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound (0.125%) on the release of nitric oxide (NO) in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g); Control = 6.1 +/- 3.3 mg/L

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

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Measurement Parameter

Activity

Unit

mg/L

Measurement Object

release

Qualitative value

=

Quantitative value

73.8

Deviation

20.5

Concomitants: Compound name

LPS (0.2 mL/20 g)

Concomitants: Compound role

COM

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 110 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of nitric oxide (NO) levels in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g) upon treatment with the compound at 0.5% concentration

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

inhibition rate

Unit

%

Measurement Object

Percent inhibition

Qualitative value

=

Quantitative value

90.73

Concomitants: Compound name

LPS (0.2 mL/20 g)

Concomitants: Compound role

COM

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 111 of 194

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound (0.125%) on the release of tumor necrosis factor-alpha (TNF-alpha) in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g); Control = 39.8 +/- 5.4 ng/L

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

Activity

Unit

ng/L

Measurement Object

release

Qualitative value

=

Quantitative value

587.1

Deviation

123.3

Concomitants: Compound name

LPS (0.2 mL/20 g)

Concomitants: Compound role

COM

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Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 112 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of tumor necrosis factor-alpha (TNF-alpha) levels in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g) upon treatment with the compound at 0.25% concentration

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

inhibition rate

Unit

%

Measurement Object

Tnf-Alpha Levels

Qualitative value

=

Quantitative value

70.88

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 113 of 194

114 of 194

Target Name

3-hydroxyanthranilate 3,4-dioxygenase [bovine]

Target Synonyms

3-hao; 3-hydroxyanthranilate 3,4-dioxygenase; 3-hydroxyanthranilate oxygenase; 3-hydroxyanthranilic acid dioxygenase; haao; had

Target Uniprot ID

q0vca8

Target, Subunit, Species

3-hydroxyanthranilate 3,4-dioxygenase [bovine]

Target Mutant/Chimera Details

3-hydroxyanthranilate 3,4-dioxygenase [bovine]:Wild

Target Species (Bioactivity)

bovine

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound towards cow liver 3-hydroxyanthranilic acid 3,4-dioxygenase (pI 4.98) upon incubation in 0.05 M of Tris-maleate buffer, pH 7.5

Biological Species/NCBI ID

bovine

Substance RN

471803View in Reaxys

Measurement Parameter

Ki (inhibition constant)

Unit

mM

Qualitative value

=

Quantitative value

4.9

Measurement pX

2.31

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of the compound in mouse was determined

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

=

Quantitative value

25

Copyright Š 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 115 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of tumor necrosis factor-alpha (TNF-alpha) levels in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g) upon treatment with the compound at 0.5% concentration

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

inhibition rate

Unit

%

Measurement Object

Tnf-Alpha Levels

Qualitative value

=

Quantitative value

85.44

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 116 of 194

117 of 194

Target Name

Anthranilate 3-Monooxygenase [Trichosporon cutaneum]

Target Synonyms

anthranilate 3-monooxygenase

Target, Subunit, Species

Anthranilate 3-Monooxygenase [Trichosporon cutaneum]

Target Mutant/Chimera Details

Anthranilate 3-Monooxygenase [Trichosporon cutaneum]:Wild

Target Species (Bioactivity)

Trichosporon cutaneum

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent of O2 return upon addition of catalase to Trichosporon cutaneum ATCC 5809 Anthranilate hydroxylase (0.36-1.8 units) in presence of compound (250 uM) and NADPH (110 uM) in PBE

Biological Species/NCBI ID

Trichosporon cutaneum ATCC 5809

Substance RN

471803View in Reaxys

Qualitative Results

Not detectable

Measurement Parameter

Activity

Measurement Object

O2 return

Qualitative value

NA

Measurement pX

1

Concomitants: Compound name

NADPH (110 uM)

Concomitants: Compound role

COM

Target Name

Tryptophan 2,3-dioxygenase [Streptomyces parvulus]

Target Synonyms

kyna; tdo; to; trpo; tryptamin 2,3-dioxygenase; tryptophan 2,3-dioxygenase; tryptophan oxygenase; tryptophan pyrrolase; tryptophanase

Target Uniprot ID

a0a191v120; a0a191v8u0

Target, Subunit, Species

Tryptophan 2,3-dioxygenase [Streptomyces parvulus]

Target Mutant/Chimera Details

Tryptophan 2,3-dioxygenase [Streptomyces parvulus]:Wild

Target Species (Bioactivity)

Streptomyces parvulus

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118 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of Tryptophan 2,3-dioxygenase from Streptomyces parvulus ATCC 29651 at a compound concentration of 1 mM

Biological Species/NCBI ID

Streptomyces parvulus ATCC 29651

Substance RN

471803View in Reaxys

Measurement Parameter

inhibition rate

Unit

%

Measurement Object

of Tryptophan 2,3-dioxygenase from Streptomyces parvulus ATCC 29651

Qualitative value

<

Quantitative value

15

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of tumor necrosis factor-alpha (TNF-alpha) levels in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g) upon treatment with the compound at 0.125% concentration

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

inhibition rate

Unit

%

Measurement Object

Tnf-Alpha Levels

Qualitative value

=

Quantitative value

8.25

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 119 of 194

Target Name

Anthranilate 3-Monooxygenase [Pseudomonas fluorescens]

Target Synonyms

anthranilate 3-monooxygenase

Target, Subunit, Species

Anthranilate 3-Monooxygenase [Pseudomonas fluorescens]

Target Mutant/Chimera Details

Anthranilate 3-Monooxygenase [Pseudomonas fluorescens]:Wild

Target Species (Bioactivity)

Pseudomonas fluorescens

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Tested for Pseudomonas fluorescens no. 23 ATCC 11250 Anthranilic acid hydroxylase (supernatant fraction) activity using 2 umoles compound upon incubation in 100 mM Tris buffer, pH 7.5, 0.1 mM anthranilic acid, 0.2 mM NADH at 30 degree C measured as rate of oxygen consumption; Control = 7.4 ul/10 min

Biological Species/NCBI ID

Pseudomonas fluorescens ATCC 11250

Substance RN

471803View in Reaxys

Qualitative Results

Activity not calculated

Measurement Parameter

qualitative

Measurement Object

Activity

Concomitants: Compound name

NADH (0.2 mM); anthranilic acid (0.1 mM)

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120 of 194

Concomitants: Compound role

COM; COM

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound (0.5%) on the release of nitric oxide (NO) in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g); Control = 6.1 +/- 3.3 mg/L

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

Activity

Unit

mg/L

Measurement Object

release

Qualitative value

=

Quantitative value

13.5

Deviation

4.2

Concomitants: Compound name

LPS (0.2 mL/20 g)

Concomitants: Compound role

COM

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 121 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of nitric oxide (NO) levels in the serum of mouse (n = 6) induced by LPS (0.2 mL/20 g) upon treatment with the compound at 0.25% concentration

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

inhibition rate

Unit

%

Measurement Object

Percent inhibition

Qualitative value

=

Quantitative value

62.16

Concomitants: Compound name

LPS (0.2 mL/20 g)

Concomitants: Compound role

COM

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 122 of 194

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Mortality rate of mice treated with the compound within 10 h; n=20, endotoxin (ET) model group = 70%

Biological Species/NCBI ID

mouse

Substance RN

471803View in Reaxys

Measurement Parameter

mortality rate

Unit

%

Measurement Object

Mortality

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Qualitative value

=

Quantitative value

20

Fang, Jian-Guo; Liu, Yun-Hai; Wang, Wen-Qing; Xie, Wei; Fang, Shu-Xian; Han, Hong-Gang; Acta Pharmacologica Sinica; vol. 26; nb. 5; (2005); p. 593 - 597, View in Reaxys 123 of 194

124 of 194

Target Name

Gap Junction Protein, Alpha 8, 50kDa

Target Synonyms

gap junction protein, alpha 8, 50kda

Target, Subunit, Species

Gap Junction Protein, Alpha 8, 50kDa

Target Mutant/Chimera Details

Gap Junction Protein, Alpha 8, 50kDa:Wild

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent blocking of gap juctional conductance between N2A cells expressing connexin 50 upon incubation with 300 uM compound in 5 mM HEPES, pH 7.4 determined by WHOLE CELL PATCHCLAMP ASSAY

Cells/Cell Lines

Neuro-2a cell line

Substance RN

471803View in Reaxys

Measurement Parameter

percentage

Unit

%

Measurement Object

Blocking activity

Qualitative value

~

Quantitative value

4

Target Name

4-aminobutyrate aminotransferase, mitochondrial

Target Synonyms

(s)-3-amino-2-methylpropionate transaminase; 4-aminobutyrate aminotransferase, mitochondrial; abat; gaba aminotransferase; gaba transaminase; gaba-at; gaba-t; gabat; gamma-amino-n-butyrate transaminase; l-aibat

Target, Subunit, Species

4-aminobutyrate aminotransferase, mitochondrial

Target Mutant/Chimera Details

4-aminobutyrate aminotransferase, mitochondrial:Wild

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent relative substrate activity (relative to the rate of GABA turnover) of the compound towards GABA aminotransferase

Substance RN

471803View in Reaxys

Measurement Parameter

Activity

Unit

%

Qualitative value

=

Quantitative value

0

Clift, Michael D.; Silverman, Richard B.; Bioorganic and Medicinal Chemistry Letters; vol. 18; nb. 10; (2008); p. 3122 3125, View in Reaxys 125 of 194

Target Name

2,3-dihydroxybenzoate-AMP ligase

Target Synonyms

2,3-dihydroxybenzoate-amp ligase

Target, Subunit, Species

2,3-dihydroxybenzoate-AMP ligase

Target Mutant/Chimera Details

2,3-dihydroxybenzoate-AMP ligase:Mutated:Substitution

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of catalytic constant of compound towards mutant DhbE KZ12(Trp234His) expressed in Escherichia coli BL21 (DE3) cells to that of michaelis-menten constant of compound towards wildtype Dhbe was determined

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Substance RN

471803View in Reaxys

Measurement Parameter

kcat/Km

Quantitative value

6.2

Zhang, Keya; Nelson, Kathryn M.; Bhuripanyo, Karan; Grimes, Kimberly D.; Zhao, Bo; Aldrich, Courtney C.; Yin, Jun; Chemistry and Biology; vol. 20; nb. 1; (2013); p. 92 - 101, View in Reaxys 126 of 194

Target Name

2,3-dihydroxybenzoate-AMP ligase

Target Synonyms

2,3-dihydroxybenzoate-amp ligase

Target, Subunit, Species

2,3-dihydroxybenzoate-AMP ligase

Target Mutant/Chimera Details

2,3-dihydroxybenzoate-AMP ligase:Wild

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of catalytic constant of compound towards wild-type DhbE expressed in Escherichia coli BL21 (DE3) cells to that of michaelis-menten constant was determined

Substance RN

471803View in Reaxys

Qualitative Results

KCAT/ KM not calculated

Measurement Parameter

qualitative

Measurement Object

Kcat/ Km

Zhang, Keya; Nelson, Kathryn M.; Bhuripanyo, Karan; Grimes, Kimberly D.; Zhao, Bo; Aldrich, Courtney C.; Yin, Jun; Chemistry and Biology; vol. 20; nb. 1; (2013); p. 92 - 101, View in Reaxys 127 of 194

Target Name

2,3-dihydroxybenzoate-AMP ligase

Target Synonyms

2,3-dihydroxybenzoate-amp ligase

Target, Subunit, Species

2,3-dihydroxybenzoate-AMP ligase

Target Mutant/Chimera Details

2,3-dihydroxybenzoate-AMP ligase:Wild

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Michaelis-menten constant of compound towards wild-type DhbE expressed in Escherichia coli BL21 (DE3) cells in presence of 5 mM ATP, 2.5 mM DTT upon incubation in 75 mM Tris, pH 7.5 for 30 min at RT was determined

Substance RN

471803View in Reaxys

Measurement Parameter

Km (Michaelis constant)

Unit

ÂľM

Qualitative value

=

Quantitative value

62

Deviation

17

Measurement pX

4.21

Concomitants: Compound name

ATP; DTT

Concomitants: Compound role

COM; COM

Zhang, Keya; Nelson, Kathryn M.; Bhuripanyo, Karan; Grimes, Kimberly D.; Zhao, Bo; Aldrich, Courtney C.; Yin, Jun; Chemistry and Biology; vol. 20; nb. 1; (2013); p. 92 - 101, View in Reaxys 128 of 194

Target Name

2,3-dihydroxybenzoate-AMP ligase

Target Synonyms

2,3-dihydroxybenzoate-amp ligase

Target, Subunit, Species

2,3-dihydroxybenzoate-AMP ligase

Target Mutant/Chimera Details

2,3-dihydroxybenzoate-AMP ligase:Mutated:Substitution

Bioassay Category

In Vitro (Efficacy)

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Bioassay Details

Michaelis-Menten constant of compound towards mutant DhbE KZ12(Trp234His) expressed in Escherichia coli BL21 (DE3) cells in presence of 5 mM ATP, 2.5 mM DTT upon incubation in 75 mM Tris, pH 7.5 for 30 min at RT was determined

Substance RN

471803View in Reaxys

Measurement Parameter

Km (Michaelis constant)

Unit

ÂľM

Qualitative value

=

Quantitative value

3.5

Deviation

0.3

Measurement pX

5.46

Concomitants: Compound name

ATP; DTT

Concomitants: Compound role

COM; COM

Zhang, Keya; Nelson, Kathryn M.; Bhuripanyo, Karan; Grimes, Kimberly D.; Zhao, Bo; Aldrich, Courtney C.; Yin, Jun; Chemistry and Biology; vol. 20; nb. 1; (2013); p. 92 - 101, View in Reaxys 129 of 194

Target Name

2,3-dihydroxybenzoate-AMP ligase

Target Synonyms

2,3-dihydroxybenzoate-amp ligase

Target, Subunit, Species

2,3-dihydroxybenzoate-AMP ligase

Target Mutant/Chimera Details

2,3-dihydroxybenzoate-AMP ligase:Mutated:Substitution

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Catalytic constant of compound towards mutant DhbE KZ12(Trp234His) expressed in Escherichia coli BL21 (DE3) cells in presence of 5 mM ATP, 2.5 mM DTT upon incubation in 75 mM Tris, pH 7.5 for 30 min at RT was determined

Substance RN

471803View in Reaxys

Measurement Parameter

kcat

Unit

min-1

Qualitative value

=

Quantitative value

0.12

Deviation

0.01

Concomitants: Compound name

ATP; DTT

Concomitants: Compound role

COM; COM

Zhang, Keya; Nelson, Kathryn M.; Bhuripanyo, Karan; Grimes, Kimberly D.; Zhao, Bo; Aldrich, Courtney C.; Yin, Jun; Chemistry and Biology; vol. 20; nb. 1; (2013); p. 92 - 101, View in Reaxys 130 of 194

Target Name

2,3-dihydroxybenzoate-AMP ligase

Target Synonyms

2,3-dihydroxybenzoate-amp ligase

Target, Subunit, Species

2,3-dihydroxybenzoate-AMP ligase

Target Mutant/Chimera Details

2,3-dihydroxybenzoate-AMP ligase:Wild

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Catalytic constant of compound towards wild-type DhbE expressed in Escherichia coli BL21 (DE3) cells in presence of 5 mM ATP, 2.5 mM DTT upon incubation in 75 mM Tris, pH 7.5 for 30 min at RT was determined

Substance RN

471803View in Reaxys

Measurement Parameter

kcat

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Unit

min-1

Qualitative value

=

Quantitative value

0.34

Deviation

0.03

Concomitants: Compound name

ATP; DTT

Concomitants: Compound role

COM; COM

Zhang, Keya; Nelson, Kathryn M.; Bhuripanyo, Karan; Grimes, Kimberly D.; Zhao, Bo; Aldrich, Courtney C.; Yin, Jun; Chemistry and Biology; vol. 20; nb. 1; (2013); p. 92 - 101, View in Reaxys 131 of 194

Target Name

2,3-dihydroxybenzoate-AMP ligase

Target Synonyms

2,3-dihydroxybenzoate-amp ligase

Target, Subunit, Species

2,3-dihydroxybenzoate-AMP ligase

Target Mutant/Chimera Details

2,3-dihydroxybenzoate-AMP ligase:Mutated:Substitution

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of catalytic constant of compound towards mutant DhbE KZ12(Trp234His) expressed in Escherichia coli BL21 (DE3) cells to that of michaelis-menten constant was determined

Substance RN

471803View in Reaxys

Qualitative Results

KCAT/ KM not calculated

Measurement Parameter

qualitative

Measurement Object

Kcat/ Km

Zhang, Keya; Nelson, Kathryn M.; Bhuripanyo, Karan; Grimes, Kimberly D.; Zhao, Bo; Aldrich, Courtney C.; Yin, Jun; Chemistry and Biology; vol. 20; nb. 1; (2013); p. 92 - 101, View in Reaxys 132 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of compound against growth of Staphylococcus epidermidis ATCC14990 upon incubation for 12 hr at 35 C determined at 8 h by microdilution method

Biological Species/NCBI ID

Staphylococcus epidermidis ATCC 14990

Substance RN

471803View in Reaxys

Measurement Parameter

IC50

Unit

Âľg/mL

Qualitative value

=

Quantitative value

275.2

Measurement pX

2.7

Narui, Koji; Noguchi, Norihisa; Saito, Aya; Kakimi, Kazuhiro; Motomura, Noboru; Kubo, Kinya; Takamoto, Shinichi; Sasatsu, Masanori; Biological and Pharmaceutical Bulletin; vol. 32; nb. 1; (2009); p. 41 - 44, View in Reaxys 133 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of compound against growth of Methicillin-resistant Staphylococcus aureus N315 upon incubation for 12 hr at 35 C determined at 8 h by microdilution method

Biological Species/NCBI ID

Staphylococcus aureus

Substance RN

471803View in Reaxys

Measurement Parameter

IC50

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Unit

µg/mL

Qualitative value

=

Quantitative value

201.6

Measurement pX

2.83

Narui, Koji; Noguchi, Norihisa; Saito, Aya; Kakimi, Kazuhiro; Motomura, Noboru; Kubo, Kinya; Takamoto, Shinichi; Sasatsu, Masanori; Biological and Pharmaceutical Bulletin; vol. 32; nb. 1; (2009); p. 41 - 44, View in Reaxys 134 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of compound against growth of Multidrug-resistant Pseudomonas aeruginosa TP698 (clinical isolate) upon incubation for 12 hr at 35 C determined at 10 h by microdilution method

Biological Species/NCBI ID

Pseudomonas aeruginosa TP698

Substance RN

471803View in Reaxys

Measurement Parameter

IC50

Unit

µg/mL

Measurement Object

Growth of Multidrug-resistant Pseudomonas aeruginosa TP698

Qualitative value

=

Quantitative value

96

Measurement pX

3.15

Narui, Koji; Noguchi, Norihisa; Saito, Aya; Kakimi, Kazuhiro; Motomura, Noboru; Kubo, Kinya; Takamoto, Shinichi; Sasatsu, Masanori; Biological and Pharmaceutical Bulletin; vol. 32; nb. 1; (2009); p. 41 - 44, View in Reaxys 135 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of compound against growth of vancomycin-resistant Enterococcus faecalis NCTC12201 upon incubation for 12 hr at 35 C determined at 8 h by microdilution method

Biological Species/NCBI ID

Enterococcus faecalis NCTC 12201

Substance RN

471803View in Reaxys

Measurement Parameter

IC50

Unit

µg/mL

Qualitative value

=

Quantitative value

169.6

Measurement pX

2.91

Narui, Koji; Noguchi, Norihisa; Saito, Aya; Kakimi, Kazuhiro; Motomura, Noboru; Kubo, Kinya; Takamoto, Shinichi; Sasatsu, Masanori; Biological and Pharmaceutical Bulletin; vol. 32; nb. 1; (2009); p. 41 - 44, View in Reaxys 136 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of compound against growth of Escherichia coli ATCC11775 upon incubation for 12 hr at 35 C determined at 10 h by microdilution method

Biological Species/NCBI ID

Escherichia coli ATCC 11775

Substance RN

471803View in Reaxys

Measurement Parameter

IC50

Unit

µg/mL

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Qualitative value

=

Quantitative value

99.2

Measurement pX

3.14

Narui, Koji; Noguchi, Norihisa; Saito, Aya; Kakimi, Kazuhiro; Motomura, Noboru; Kubo, Kinya; Takamoto, Shinichi; Sasatsu, Masanori; Biological and Pharmaceutical Bulletin; vol. 32; nb. 1; (2009); p. 41 - 44, View in Reaxys 137 of 194

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of compound against growth of Candida albicans ATCC10231upon incubation for 12 hr at 35 C determined at 20 h by microdilution method

Biological Species/NCBI ID

Candida albicans ATCC 10231

Substance RN

471803View in Reaxys

Measurement Parameter

IC50

Unit

µg/mL

Measurement Object

Growth of Candida albicans ATCC10231

Qualitative value

>=

Quantitative value

1024

Measurement pX

1

Narui, Koji; Noguchi, Norihisa; Saito, Aya; Kakimi, Kazuhiro; Motomura, Noboru; Kubo, Kinya; Takamoto, Shinichi; Sasatsu, Masanori; Biological and Pharmaceutical Bulletin; vol. 32; nb. 1; (2009); p. 41 - 44, View in Reaxys 138 of 194

Target Name

Peptide Synthetase Aspa [Aspergillus alliaceus]

Target Synonyms

peptide synthetase aspa

Target, Subunit, Species

Peptide Synthetase Aspa [Aspergillus alliaceus]

Target Mutant/Chimera Details

Peptide Synthetase Aspa [Aspergillus alliaceus]:Wild

Target Species (Bioactivity)

Aspergillus alliaceus

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Michaelis-Menten constant of Aspergillus alliaceus PEPTIDE SYNTHETASE ASPA expressed in Saccharomyces cerevisiae in presence of 5 mM ATP upon incubation with compound at ambient temperature in 100 mM Tris-HCl, pH 8.0

Substance RN

471803View in Reaxys

Measurement Parameter

Km (Michaelis constant)

Unit

µM

Qualitative value

=

Quantitative value

22.9

Measurement pX

4.64

Gao, Xue; Jiang, Wei; Jimenez-Oses, Gonzalo; Choi, Moon Seok; Houk, Kendall N.; Tang, Yi; Walsh, Christopher T.; Chemistry and Biology; vol. 20; nb. 7; (2013); p. 870 - 878, View in Reaxys 139 of 194

Target Name

Peptide Synthetase Aspa [Aspergillus alliaceus]

Target Synonyms

peptide synthetase aspa

Target, Subunit, Species

Peptide Synthetase Aspa [Aspergillus alliaceus]

Target Mutant/Chimera Details

Peptide Synthetase Aspa [Aspergillus alliaceus]:Wild

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Target Species (Bioactivity)

Aspergillus alliaceus

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Catalytic constant of Aspergillus alliaceus PEPTIDE SYNTHETASE ASPA expressed in Saccharomyces cerevisiae in presence of 5 mM ATP upon incubation with compound at ambient temperature in 100 mM Tris-HCl, pH 8.0

Substance RN

471803View in Reaxys

Measurement Parameter

kcat

Unit

min-1

Qualitative value

=

Quantitative value

94.6

Gao, Xue; Jiang, Wei; Jimenez-Oses, Gonzalo; Choi, Moon Seok; Houk, Kendall N.; Tang, Yi; Walsh, Christopher T.; Chemistry and Biology; vol. 20; nb. 7; (2013); p. 870 - 878, View in Reaxys 140 of 194

Substance Effect

Toxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

<= 2000 mg/kg

Measurement Parameter

mortality rate

Unit

%

Quantitative value

0

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 141 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

500 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

% Tail DNA

Unit

%

Quantitative value

2.19

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 142 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

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Substance Name

o-anthranilic acid

Substance Dose

1000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

% Tail DNA

Unit

%

Quantitative value

1.74

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 143 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

2000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

% Tail DNA

Unit

%

Quantitative value

1.98

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 144 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

1000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

% Tail DNA

Unit

%

Quantitative value

3.41

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 145 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

2000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

% Tail DNA

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Unit

%

Quantitative value

4.83

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 146 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

500 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

% Tail DNA

Unit

%

Quantitative value

5.31

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 147 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

500 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Incidence of hedgehogs

Quantitative value

0

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 148 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

1000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Incidence of hedgehogs

Quantitative value

0

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Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 149 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

2000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Incidence of hedgehogs

Quantitative value

0.4

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 150 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

500 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Incidence of hedgehogs

Quantitative value

0.2

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 151 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

1000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Incidence of hedgehogs

Quantitative value

0.2

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Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 152 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

2000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Incidence of hedgehogs

Quantitative value

0.8

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 153 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

1000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Of micronucleus

Quantitative value

0.12

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 154 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

500 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Of micronucleus

Quantitative value

0.14

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Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 155 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

2000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Of micronucleus

Quantitative value

0.14

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 156 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

2000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Immature erythrocytes

Quantitative value

69.5

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 157 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

500 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Immature erythrocytes

Quantitative value

69.1

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Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 158 of 194

Substance Effect

Genotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

1000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

percentage

Unit

%

Measurement Object

Immature erythrocytes

Quantitative value

69.1

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 159 of 194

Substance Effect

Toxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

2000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

qualitative

Unit

%

Measurement Object

Erosion/ulcer

Quantitative value

20

Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 160 of 194

Substance Effect

Toxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

CD rat

Substance RN

471803View in Reaxys

Substance Name

o-anthranilic acid

Substance Dose

2000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

qualitative

Unit

%

Measurement Object

Necrosis

Quantitative value

0

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Takasawa, Hironao; Takashima, Rie; Narumi, Kazunori; Kawasako, Kazufumi; Hattori, Akiko; Kawabata, Masayoshi; Hamada, Shuichi; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 786-788; (2015); p. 144 150, View in Reaxys 161 of 194

Substance Effect

Cytotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Cells/Cell Lines

HEK293 cell line

Substance RN

471803View in Reaxys

Measurement Parameter

IC50

Unit

mM

Qualitative value

>

Quantitative value

15

Measurement pX

1

Nabeyama, Wataru; Ishihara, Kenji; Ban, Hyun Seung; Wada, Hiroshi; Nakamura, Hiroyuki; Bioorganic and Medicinal Chemistry; vol. 25; nb. 9; (2017); p. 2601 - 2608, View in Reaxys 162 of 194

Substance Effect

Cytotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Cells/Cell Lines

HEK293 cell line

Substance RN

471803View in Reaxys

Substance Dose

15 mM

Measurement Parameter

inhibition rate

Unit

%

Quantitative value

46.9

Nabeyama, Wataru; Ishihara, Kenji; Ban, Hyun Seung; Wada, Hiroshi; Nakamura, Hiroyuki; Bioorganic and Medicinal Chemistry; vol. 25; nb. 9; (2017); p. 2601 - 2608, View in Reaxys 163 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

Lowest observed lethal concentration

Unit

μM

Quantitative value

100

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 164 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

No-observed lethal concentration

Unit

μM

Quantitative value

60

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys

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165 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

LD20

Unit

μM

Quantitative value

231.8

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 166 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

LD50

Unit

μM

Quantitative value

331.6

Measurement pX

3.48

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 167 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

LD20

Unit

μM

Quantitative value

100

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 168 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

LD50

Unit

μM

Quantitative value

118.1

Measurement pX

3.93

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys

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169 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

survival time

Unit

h

Measurement Object

Survival

Quantitative value

52

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 170 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

7.5 μM

Measurement Parameter

percentage

Unit

%

Measurement Object

embryos with grouth retardation

Quantitative value

25 - 49

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 171 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

NOAEC

Unit

μM

Quantitative value

2.5

Measurement pX

5.6

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 172 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

7.5 μM

Measurement Parameter

percentage

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Unit

%

Measurement Object

embryos with pericardial edema

Quantitative value

25 - 49

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 173 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

7.5 μM

Measurement Parameter

percentage

Unit

%

Measurement Object

embryos with body malformation

Quantitative value

25 - 49

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 174 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

7.5 μM

Measurement Parameter

percentage

Unit

%

Measurement Object

embryos with deformity of yolk

Quantitative value

10 - 24

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 175 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

7.5 μM

Measurement Parameter

percentage

Unit

%

Measurement Object

embryos with deformity of yolk sac

Quantitative value

10 - 24

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 176 of 194

Substance Effect

Embryotoxic

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Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

7.5 μM

Measurement Parameter

percentage

Unit

%

Measurement Object

embryos with kyphosis

Quantitative value

10 - 24

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 177 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

7.5 μM

Measurement Parameter

percentage

Unit

%

Measurement Object

embryos with lack of pigmentation

Quantitative value

25 - 49

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 178 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

7.5 μM

Measurement Parameter

percentage

Unit

%

Measurement Object

dead embryos

Quantitative value

10 - 24

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 179 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

LOAEC

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Unit

μM

Quantitative value

7.5

Measurement pX

5.12

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 180 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

Lowest observed lethal concentration

Unit

μM

Quantitative value

15

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 181 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

< 15 μM

Measurement Parameter

mortality rate

Unit

%

Measurement Object

Mortality

Qualitative value

<

Quantitative value

10

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 182 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

> 580 μM

Measurement Parameter

mortality rate

Unit

%

Measurement Object

Mortality

Quantitative value

100

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 183 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Copyright © 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

50 μM

Measurement Parameter

% decrease

Unit

%

Measurement Object

body length

Quantitative value

13.2

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 184 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

No-observed lethal concentration

Unit

μM

Quantitative value

5

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 185 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

5.2 μM

Measurement Parameter

% decrease

Measurement Object

hatching rate

Qualitative value

Active

Measurement pX

5.28

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 186 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

survival time

Unit

h

Measurement Object

Survival

Quantitative value

72

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Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 187 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

NOAEC

Unit

μM

Quantitative value

5

Measurement pX

5.3

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 188 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

LOAEC

Unit

μM

Quantitative value

15

Measurement pX

4.82

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 189 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

ED50

Unit

μM

Quantitative value

26.74

Measurement pX

4.57

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 190 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Measurement Parameter

LOAEC

Unit

μM

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Measurement Object

hatching

Quantitative value

5.09

Measurement pX

5.29

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 191 of 194

Substance Effect

Cardiotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

5.2 μM

Measurement Parameter

heart rate decrease

Measurement Object

Heart Rate

Qualitative value

Active

Measurement pX

5.28

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 192 of 194

Substance Effect

Cardiotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

118 μM

Measurement Parameter

heart rate decrease

Unit

%

Measurement Object

Heart Rate

Quantitative value

10.5

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 193 of 194

Substance Effect

Embryotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

50 μM

Measurement Parameter

length

Unit

mm

Measurement Object

body

Quantitative value

3.75

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys 194 of 194

Substance Effect

Embryotoxic

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Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

zebra fish

Substance RN

471803View in Reaxys

Substance Name

anthranilic acid

Substance Dose

5 μM

Measurement Parameter

time

Unit

h

Measurement Object

hatching

Quantitative value

72.87

Majewski, Michal; Kasica, Natalia; Jakimiuk, Anna; Podlasz, Piotr; Toxicology and Applied Pharmacology; vol. 341; (2018); p. 16 - 29, View in Reaxys

Reaxys ID 3735721 View in Reaxys

2/4 CAS Registry Number: 552-37-4 Chemical Name: sodium o-aminobenzoate; anthranilic acid sodium salt; 2-aminobenzoic acid sodium salt; anthranilic acid, sodium salt; sodium 2-aminobenzoate; sodium anthranilate; Sodium anthranilate Linear Structure Formula: Na(1+)*H2NC6H4COO(1-)=H2NC6H4COONa Molecular Formula: C7H6NO2*Na Molecular Weight: 159.12 Type of Substance: isocyclic InChI Key: HCKKSLZDSNNSTL-UHFFFAOYSA-M Note:

H 2N O– Na +

O

Substance Label (2) Label References 2

Budruev, Andrei V.; Dzhons, Daria Yu.; Faerman, Vladimir I.; Fukin, Georgy K.; Shavyrin, Andrey S.; Chemistry of Heterocyclic Compounds; vol. 52; nb. 9; (2016); p. 694 - 699; Khim. Geterotsikl. Soedin.; vol. 52; nb. 9; (2016); p. 694 - 699,6, View in Reaxys

substrate to 4c and 4d

Tseng, Ming-Chung; Kan, Huang-Chuan; Chu, Yen-Ho; Tetrahedron Letters; vol. 48; nb. 52; (2007); p. 9085 - 9089, View in Reaxys

Patent-Specific Data (1) Location in Patent References Claim

Patent; The Ronald T. Dodge Company; US5288504; (1994); (A) English, View in Reaxys; Patent; The General Hospital Corporation; US5605672; (1997); (A) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

0.339

H Bond Donors

1

H Bond Acceptors

3

Rotatable Bonds

1

TPSA

66.15

Lipinski Number

4

Veber Number

2

Melting Point (1) 1 of 1

Melting Point [°C]

250

Amin, Muhammad Mohsin; Ali, Saqib; Shahzadi, Saira; Sharma, Saroj K.; Qanungo, Kushal; Journal of Coordination Chemistry; vol. 64; nb. 2; (2011); p. 337 - 350, View in Reaxys Association (MCS) (4)

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1 of 4

Description (Association (MCS))

UV/VIS spectrum of the complex

Solvent (Association (MCS))

H2O

Partner (Association (MCS))

oxaminiquine

Ammar; Khalil; Pharmazie; vol. 50; nb. 12; (1995); p. 809 - 811, View in Reaxys 2 of 4

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

4-hydroxypyrazolo(3,4-d)pyrimidine

Ammar; El-Nahhas; Pharmazie; vol. 48; nb. 6; (1993); p. 436 - 438, View in Reaxys 3 of 4

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

30

Partner (Association (MCS))

6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

Ammar; Ibrahim; El-Faham; Pharmazie; vol. 37; nb. 1; (1982); p. 36 - 40, View in Reaxys 4 of 4

Description (Association (MCS))

UV/VIS spectrum of the complex

Partner (Association (MCS))

1,3,5-trinitrobenzene

Matsunaga, Yoshio; Usui, Reiko; Bulletin of the Chemical Society of Japan; vol. 53; nb. 11; (1980); p. 3085 - 3088, View in Reaxys Liquid/Liquid Systems (MCS) (1) 1 of 1

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

-0.1

Partner (Liquid/Liquid Systems (MCS))

toluene; trinonyloctadecylammonium 2,4-dinitrophenolate; H2O

Gulevich; Rakhman'ko; Podterob; Russian Journal of Applied Chemistry; vol. 69; nb. 3; (1996); p. 359 - 362, View in Reaxys Mechanical & Physical Properties (MCS) (1) 1 of 1

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25 - 35

Partner (Mechanical & Physical Properties (MCS))

H2O

Seal, B. K.; Chatterjee, D. K.; Mandal, P. K.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 21; nb. 5; (1982); p. 509 - 511, View in Reaxys Solution Behaviour (MCS) (1)

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1 of 1

Description (Solution Behaviour (MCS))

Solubilizing

Partner (Solution Behaviour (MCS))

oxaminiquine

Ammar; Khalil; Pharmazie; vol. 50; nb. 12; (1995); p. 809 - 811, View in Reaxys Transport Phenomena (MCS) (1) 1 of 1

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

25 - 35

Partner (Transport Phenomena (MCS))

H2O

Seal, B. K.; Chatterjee, D. K.; Mandal, P. K.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 21; nb. 5; (1982); p. 509 - 511, View in Reaxys NMR Spectroscopy (1) 1 of 1

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

water-d2

Temperature (NMR Spectroscopy) [°C]

30

Akram, Mohd.; Bhat, Imtiyaz Ahmad; Kabir-Ud-Din; Journal of Physical Chemistry B; vol. 119; nb. 8; (2015); p. 3499 3509, View in Reaxys IR Spectroscopy (7) 1 of 7

Description (IR Spectroscopy)

Bands; Spectrum

Solvent (IR Spectroscopy)

potassium bromide

Cursino, Ana Cristina Trindade; Rives, Vicente; Arizaga, Gregorio Guadalupe Carbajal; Trujillano, Raquel; Wypych, Fernando; Materials Research Bulletin; vol. 70; (2015); p. 336 - 342, View in Reaxys 2 of 7

Description (IR Spectroscopy)

Intensity of IR bands; Bands; Spectrum

Akram, Mohd.; Bhat, Imtiyaz Ahmad; Kabir-Ud-Din; Journal of Physical Chemistry B; vol. 119; nb. 8; (2015); p. 3499 3509, View in Reaxys 3 of 7

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Amin, Muhammad Mohsin; Ali, Saqib; Shahzadi, Saira; Sharma, Saroj K.; Qanungo, Kushal; Journal of Coordination Chemistry; vol. 64; nb. 2; (2011); p. 337 - 350, View in Reaxys; Swislocka, Renata; Kalinowska, Monika; Ferenc, Wieslawa; Sarzynski, Jan; Lewandowski, Wlodzimierz; Central European Journal of Chemistry; vol. 10; nb. 4; (2012); p. 1095 - 1105, View in Reaxys 4 of 7

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Wiesbrock, Frank; Schmidbaur, Hubert; Journal of the Chemical Society. Dalton Transactions; nb. 24; (2002); p. 4703 4708, View in Reaxys 5 of 7

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

3400 - 1385 cm**(-1)

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Sandhu, G. K.; Verma, S. P.; Moore, L. S.; Parish, R. V.; Journal of Organometallic Chemistry; vol. 321; (1987); p. 15 - 26, View in Reaxys 6 of 7

Description (IR Spectroscopy)

Spectrum

Lindberg; Acta Chemica Scandinavica (1947-1973); vol. 22; (1968); p. 571, View in Reaxys 7 of 7

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

1250 - 909 cm**(-1)

Neeb; Zeitschrift fuer Analytische Chemie; vol. 161; (1958); p. 161,163, View in Reaxys UV/VIS Spectroscopy (4) 1 of 4

Description (UV/VIS Spectroscopy)

Reflection spectrum; Spectrum

Cursino, Ana Cristina Trindade; Rives, Vicente; Arizaga, Gregorio Guadalupe Carbajal; Trujillano, Raquel; Wypych, Fernando; Materials Research Bulletin; vol. 70; (2015); p. 336 - 342, View in Reaxys 2 of 4

Description (UV/VIS Spectroscopy)

Spectrum

Akram, Mohd.; Bhat, Imtiyaz Ahmad; Kabir-Ud-Din; Journal of Physical Chemistry B; vol. 119; nb. 8; (2015); p. 3499 3509, View in Reaxys 3 of 4

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

H2O

Absorption Maxima (UV/ VIS) [nm]

311

Ammar; Khalil; Pharmazie; vol. 50; nb. 12; (1995); p. 809 - 811, View in Reaxys 4 of 4

Description (UV/VIS Spectroscopy)

Absorption maxima

Absorption Maxima (UV/ VIS) [nm]

311

Ammar; Khalil; Pharmazie; vol. 48; nb. 11; (1993); p. 842 - 845, View in Reaxys Raman Spectroscopy (1) Description (Ram- References an Spectroscopy) Bands

Swislocka, Renata; Kalinowska, Monika; Ferenc, Wieslawa; Sarzynski, Jan; Lewandowski, Wlodzimierz; Central European Journal of Chemistry; vol. 10; nb. 4; (2012); p. 1095 - 1105, View in Reaxys

Luminescence Spectroscopy (2) Description (Lumi- References nescence Spectroscopy) Luminescence spectrum

Cursino, Ana Cristina Trindade; Rives, Vicente; Arizaga, Gregorio Guadalupe Carbajal; Trujillano, Raquel; Wypych, Fernando; Materials Research Bulletin; vol. 70; (2015); p. 336 - 342, View in Reaxys

Luminescence maximum(a)

Cursino, Ana Cristina Trindade; Rives, Vicente; Arizaga, Gregorio Guadalupe Carbajal; Trujillano, Raquel; Wypych, Fernando; Materials Research Bulletin; vol. 70; (2015); p. 336 - 342, View in Reaxys

Fluorescence Spectroscopy (1) Description (Fluo- References rescence Spectroscopy) Spectrum

Akram, Mohd.; Bhat, Imtiyaz Ahmad; Kabir-Ud-Din; Journal of Physical Chemistry B; vol. 119; nb. 8; (2015); p. 3499 - 3509, View in Reaxys

Medchem (10) 1 of 10

Bioassay Category

In Vitro (Efficacy)

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Bioassay Details

Percent inhibition of collagen induced platelet aggregation in human plasma by the compound at a concentration of 1.0 uM

Biological Species/NCBI ID

human

Cells/Cell Lines

plasma cell

Substance RN

3735721View in Reaxys

Measurement Parameter

percentage

Unit

%

Measurement Object

Aggregation activity

Qualitative value

=

Quantitative value

0

Thilo; Von Kaulla; Journal of medicinal chemistry; vol. 13; nb. 3; (1970); p. 503 - 510, View in Reaxys 2 of 10

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Fibrinolytic concentration of the compound in human plasma

Biological Species/NCBI ID

human

Cells/Cell Lines

plasma cell

Substance RN

3735721View in Reaxys

Measurement Parameter

concentration (parameters)

Unit

ÂľM

Measurement Object

Fibrinolytic concentration

Qualitative value

=

Quantitative value

40

Thilo; Von Kaulla; Journal of medicinal chemistry; vol. 13; nb. 3; (1970); p. 503 - 510, View in Reaxys 3 of 10

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of collagen induced platelet aggregation in human plasma by the compound at a concentration of 4.0 uM

Biological Species/NCBI ID

human

Cells/Cell Lines

plasma cell

Substance RN

3735721View in Reaxys

Measurement Parameter

percentage

Unit

%

Measurement Object

Aggregation activity

Qualitative value

=

Quantitative value

29.1

Thilo; Von Kaulla; Journal of medicinal chemistry; vol. 13; nb. 3; (1970); p. 503 - 510, View in Reaxys 4 of 10

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of collagen induced platelet aggregation in human plasma by the compound at a concentration of 6.0 uM

Biological Species/NCBI ID

human

Cells/Cell Lines

plasma cell

Substance RN

3735721View in Reaxys

Measurement Parameter

percentage

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Unit

%

Measurement Object

Aggregation activity

Qualitative value

=

Quantitative value

49.2

Thilo; Von Kaulla; Journal of medicinal chemistry; vol. 13; nb. 3; (1970); p. 503 - 510, View in Reaxys 5 of 10

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of collagen induced platelet aggregation in human plasma by the compound at a concentration of 2.0 uM

Biological Species/NCBI ID

human

Cells/Cell Lines

plasma cell

Substance RN

3735721View in Reaxys

Measurement Parameter

percentage

Unit

%

Measurement Object

Aggregation activity

Qualitative value

=

Quantitative value

14.2

Thilo; Von Kaulla; Journal of medicinal chemistry; vol. 13; nb. 3; (1970); p. 503 - 510, View in Reaxys 6 of 10

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Average of collagen induced platelet aggregation in human plasma by the compound at a concentration of 6.0 uM

Biological Species/NCBI ID

human

Cells/Cell Lines

plasma cell

Substance RN

3735721View in Reaxys

Measurement Parameter

percentage

Unit

%

Measurement Object

Aggregation activity

Qualitative value

=

Quantitative value

50.8

Thilo; Von Kaulla; Journal of medicinal chemistry; vol. 13; nb. 3; (1970); p. 503 - 510, View in Reaxys 7 of 10

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Average of collagen induced platelet aggregation in human plasma by the compound at a concentration of 2.0 uM

Biological Species/NCBI ID

human

Cells/Cell Lines

plasma cell

Substance RN

3735721View in Reaxys

Measurement Parameter

percentage

Unit

%

Measurement Object

Aggregation activity

Qualitative value

=

Quantitative value

85.8

Thilo; Von Kaulla; Journal of medicinal chemistry; vol. 13; nb. 3; (1970); p. 503 - 510, View in Reaxys 8 of 10

Bioassay Category

In Vitro (Efficacy)

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Bioassay Details

Range of collagen induced platelet aggregation in human plasma by the compound at a concentration of 1.0 uM

Biological Species/NCBI ID

human

Cells/Cell Lines

plasma cell

Substance RN

3735721View in Reaxys

Measurement Parameter

percentage

Unit

%

Measurement Object

Aggregation activity

Qualitative value

=

Quantitative value

103.4

Thilo; Von Kaulla; Journal of medicinal chemistry; vol. 13; nb. 3; (1970); p. 503 - 510, View in Reaxys 9 of 10

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Average of collagen induced platelet aggregation in human plasma by the compound at a concentration of 1.0 uM

Biological Species/NCBI ID

human

Cells/Cell Lines

plasma cell

Substance RN

3735721View in Reaxys

Measurement Parameter

percentage

Unit

%

Measurement Object

Aggregation activity

Qualitative value

=

Quantitative value

100.2

Thilo; Von Kaulla; Journal of medicinal chemistry; vol. 13; nb. 3; (1970); p. 503 - 510, View in Reaxys 10 of 10

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Average of collagen induced platelet aggregation in human plasma by the compound at a concentration of 4.0 uM

Biological Species/NCBI ID

human

Cells/Cell Lines

plasma cell

Substance RN

3735721View in Reaxys

Measurement Parameter

percentage

Unit

%

Measurement Object

Aggregation activity

Qualitative value

=

Quantitative value

70.9

Thilo; Von Kaulla; Journal of medicinal chemistry; vol. 13; nb. 3; (1970); p. 503 - 510, View in Reaxys

Reaxys ID 3912906 View in Reaxys

3/4

H 2N

CAS Registry Number: 2099-63-0 Chemical Name: anthranilic acid hydrochloride; 2-Aminobenzoic acid hydrochloride; Anthranillic acid hydrochloride; 2-amino-benzoic acid; hydrochloride; anthranilic acid ; hydrochloride; Anthranilsaeure; Hydrochlorid; Anthranilsaeure; salzsaure Anthranilsaeure

O Cl

H

HO

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Linear Structure Formula: C7H7NO2*HCl Molecular Formula: C7H7NO2*ClH Molecular Weight: 173.599 Type of Substance: isocyclic InChI Key: GNMFPYJORUCLEY-UHFFFAOYSA-N Note: Substance Label (9) Label References 4b*HCl

Kafka, Stanislav; Proisl, Karel; Kasparkova, Vera; Urankar, Damijana; Kimmel, Roman; Kosmrlj, Janez; Tetrahedron; vol. 69; nb. 51; (2013); p. 10826 - 10835, View in Reaxys

2j

Oezkan, Hamdi; Disli, Ali; Yildirir, Yilmaz; Tuerker, Lemi; Molecules; vol. 12; nb. 11; (2007); p. 2478 - 2483, View in Reaxys

1

Goeblyoes, Aniko; Gao, Zhan-Guo; Brussee, Johannes; Connestari, Roberto; Santiago, Sabrina Neves; Ye, Kai; Ijzerman, Adriaan P.; Jacobson, Kenneth A.; Journal of Medicinal Chemistry; vol. 49; nb. 11; (2006); p. 3354 - 3361, View in Reaxys

2ABA*HCl

Jackson, Peter; Harris, Robin K.; Journal of the Chemical Society, Faraday Transactions; vol. 91; nb. 5; (1995); p. 805 - 810, View in Reaxys

o-COOH-C6H4NH2*HCl

Feid-Allah; Pharmazie; vol. 36; nb. 10; (1981); p. 672 - 673, View in Reaxys

I, X=Y=H

Chaurasia; Sharma; Kumar; Agricultural and Biological Chemistry; vol. 44; nb. 3; (1980); p. 663 - 665, View in Reaxys

o-COOH-C6H4

Misra; Dhar; Pharmazie; vol. 35; nb. 10; (1980); p. 585 - 586, View in Reaxys

IV

Modi,S.K. et al.; Indian Journal of Chemistry; vol. 8; (1970); p. 793 - 795, View in Reaxys

I

DHAMI; ARORA; NARANG; Journal of medicinal chemistry; vol. 6; (1963); p. 450 - 452, View in Reaxys

Druglikeness (1) 1 of 1

LogP

1.761

H Bond Donors

2

H Bond Acceptors

3

Rotatable Bonds

1

TPSA

63.32

Lipinski Number

4

Veber Number

2

Melting Point (3) 1 of 3

Melting Point [°C]

167 - 172

Solvent (Melting Point)

ethanol; ethyl acetate

Amount (Melting Point) [mol]

1

Kafka, Stanislav; Proisl, Karel; Kasparkova, Vera; Urankar, Damijana; Kimmel, Roman; Kosmrlj, Janez; Tetrahedron; vol. 69; nb. 51; (2013); p. 10826 - 10835, View in Reaxys 2 of 3

Melting Point [°C]

193 - 194

Comment (Melting Point)

Decomposition.

Fischer,E.; Chemische Berichte; vol. 29; (1896); p. 2063, View in Reaxys 3 of 3

Melting Point [°C]

191

Huebner; Petermann; Justus Liebigs Annalen der Chemie; vol. 149; (1869); p. 142, View in Reaxys Crystal Property Description (2) Colour & Other References Properties white

Kafka, Stanislav; Proisl, Karel; Kasparkova, Vera; Urankar, Damijana; Kimmel, Roman; Kosmrlj, Janez; Tetrahedron; vol. 69; nb. 51; (2013); p. 10826 - 10835, View in Reaxys

Nadeln

Huebner; Petermann; Justus Liebigs Annalen der Chemie; vol. 149; (1869); p. 142, View in Reaxys

Electrical Data (1)

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1 of 1

Description (Electrical Da- Electrical conductivity ta) Comment (Electrical Data) in Wasser. Beveridge; Chem. Zentralbl.; vol. 81; nb. I; (1910); p. 735, View in Reaxys

NMR Spectroscopy (4) 1 of 4

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 500 scopy) [MHz] Kafka, Stanislav; Proisl, Karel; Kasparkova, Vera; Urankar, Damijana; Kimmel, Roman; Kosmrlj, Janez; Tetrahedron; vol. 69; nb. 51; (2013); p. 10826 - 10835, View in Reaxys 2 of 4

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 126 scopy) [MHz] Kafka, Stanislav; Proisl, Karel; Kasparkova, Vera; Urankar, Damijana; Kimmel, Roman; Kosmrlj, Janez; Tetrahedron; vol. 69; nb. 51; (2013); p. 10826 - 10835, View in Reaxys 3 of 4

Description (NMR Spectroscopy)

Linewidth of NMR absorption

Jackson, Peter; Harris, Robin K.; Journal of the Chemical Society, Faraday Transactions; vol. 91; nb. 5; (1995); p. 805 - 810, View in Reaxys 4 of 4

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

solid

Jackson, Peter; Harris, Robin K.; Journal of the Chemical Society, Faraday Transactions; vol. 91; nb. 5; (1995); p. 805 - 810, View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Intensity of IR bands; Bands

Solvent (IR Spectroscopy)

potassium bromide

Kafka, Stanislav; Proisl, Karel; Kasparkova, Vera; Urankar, Damijana; Kimmel, Roman; Kosmrlj, Janez; Tetrahedron; vol. 69; nb. 51; (2013); p. 10826 - 10835, View in Reaxys Mass Spectrometry (1) Description (Mass References Spectrometry) high resolution mass spectrometry (HRMS); electrospray ionisation (ESI); time-offlight mass spectra (TOFMS); liquid chromatography

Kafka, Stanislav; Proisl, Karel; Kasparkova, Vera; Urankar, Damijana; Kimmel, Roman; Kosmrlj, Janez; Tetrahedron; vol. 69; nb. 51; (2013); p. 10826 - 10835, View in Reaxys

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mass spectrometry (LCMS); spectrum UV/VIS Spectroscopy (1) 1 of 1

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. HCl

Huenecke; Chemische Berichte; vol. 60; (1927); p. 1454, View in Reaxys

Reaxys ID 4031210 View in Reaxys

4/4 CAS Registry Number: 37960-65-9 Chemical Name: potassium anthranilate; potassium 2-aminobenzoate; potassium o-aminobenzoate; Potassium anthranilate; anthranilsaures Kalium Linear Structure Formula: K(1+)*NH2C6H4COO(1-)=K(NH2C6H4COO) Molecular Formula: C7H6NO2*K Molecular Weight: 175.228 Type of Substance: isocyclic InChI Key: VLSHYHUKASKGPF-UHFFFAOYSA-M Note:

H 2N O– K+

O

Substance Label (9) Label References 3

Franco, Santiago; Melendez, Enrique; Merchan, Francisco L.; Journal of Heterocyclic Chemistry; vol. 32; nb. 4; (1995); p. 1181 - 1184, View in Reaxys

1

Khan, R H; Rastogi, R C; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 32; nb. 5; (1993); p. 595 - 598, View in Reaxys

IIa

Bezuglyi, P. A.; Treskach, V. I.; Ukrainets, I. V.; Grinenko, V. V.; Bevz, N. Yu.; Journal of Organic Chemistry USSR (English Translation); vol. 27; nb. 7.1; (1991); p. 1233 - 1236; Zhurnal Organicheskoi Khimii; vol. 27; nb. 7; (1991); p. 1410 - 1413, View in Reaxys

2

Garin, Javier; Melendez, Enrique; Merchan, Francisco L.; Merino, Pedro; Orduna, Jesus; Tejero, Tomas; Journal of Heterocyclic Chemistry; vol. 27; nb. 5; (1990); p. 1341 - 1344, View in Reaxys

Anth*K

Banerjee, A. K.; Singh, Tarkeshwar; Roy, S. K.; Journal of the Indian Chemical Society; vol. 62; nb. 9; (1985); p. 705 - 707, View in Reaxys

K-Anth

Banerjee, A. K.; Mahapatra, Basabi; Prasad, Dharmbir; Roy, S. K.; Journal of the Indian Chemical Society; vol. 62; nb. 7; (1985); p. 552 - 553, View in Reaxys

2, R3=R4=H

Garin, J.; Melendez, E.; Merchan, F. L.; Tejero, T.; Synthesis; nb. 6; (1984); p. 520 - 522, View in Reaxys

KAnc

Prakash, Dharm; Singh, Shankar Prasad; Journal of the Indian Chemical Society; vol. 61; nb. 6; (1984); p. 471 - 473, View in Reaxys

1 (R=H)

Garin, J.; Melendez, E.; Merchan, F. L.; Tejero, T.; Villarroya, E.; Synthesis; nb. 5; (1983); p. 406 - 408, View in Reaxys

Patent-Specific Data (1) Location in Patent References Claim

Patent; The Goodyear Tire and Rubber Company; US4596831; (1986); (A) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

0.339

H Bond Donors

1

H Bond Acceptors

3

Rotatable Bonds

1

TPSA

66.15

Lipinski Number

4

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Veber Number

2

Association (MCS) (1) 1 of 1

Description (Association (MCS))

UV/VIS spectrum of the complex

Partner (Association (MCS))

1,3,5-trinitrobenzene

Matsunaga, Yoshio; Usui, Reiko; Bulletin of the Chemical Society of Japan; vol. 53; nb. 11; (1980); p. 3085 - 3088, View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Wiesbrock, Frank; Schmidbaur, Hubert; Journal of the Chemical Society. Dalton Transactions; nb. 24; (2002); p. 4703 4708, View in Reaxys

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