Chem
J-GLOBAL ID：200907036988333705   Nikkaji number：J355.728F

ONO-RS-082

ONO-RS-082
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H21ClNNaO3
Molecular formula furigana： C21-H21-CL-N-NA-O3
Molecular weight： 393.840
InChI： InChI=1S/C21H22ClNO3.Na/c1-2-3-4-5-15-6-8-16(9-7-15)10-13-20(24)23-19-14-17(22)11-12-18(19)21(25)26;/h6-14H,2-5H2,1H3,(H,23,24)(H,25,26);/q;+1/p-1/b13-10+;
InChI key： KSERQOIKJYXSFK-RSGUCCNWSA-M
SMILES： CCCCCc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C(=O)O[Na])cc1
Systematic name  (3)：
  • 2-[[(E)-4-ペンチルシンナモイル]アミノ]-4-クロロ安息香酸ナトリウム
  • ナトリウム 4-クロロ-2-[(2E)-3-(4-ペンチルフェニル)プロパ-2-エンアミド]ベンゾアート
  • sodium 4-chloro-2-[(2E)-3-(4-pentylphenyl)prop-2-enamido]benzoate
Other name (2)：
  • ONO-RS-082
  • 2-[[(E)-4-Pentylcinnamoyl]amino]-4-chlorobenzoic acid sodium salt
Thsaurus map：
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