Chem
J-GLOBAL ID:200907065450426193   Nikkaji number:J1.487.532H

S-Tolvaptan

S-トルバブタン
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: C26H25ClN2O3
Molecular formula furigana: C26-H25-CL-N2-O3
Molecular weight: 448.950
InChI: InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)/t24-/m0/s1
InChI key: GYHCTFXIZSNGJT-DEOSSOPVSA-N
SMILES: Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3cc(Cl)ccc23)c(C)c1
Systematic name  (3):
  • N-[3-メチル-4-[[(5S)-5α-ヒドロキシ-7-クロロ-2,3,4,5-テトラヒドロ-1H-1-ベンゾアゼピン-1-イル]カルボニル]フェニル]-2-メチルベンズアミド
  • N-{4-[(5S)-7-クロロ-5-ヒドロキシ-2,3,4,5-テトラヒドロ-1H-1-ベンゾアゼピン-1-カルボニル]-3-メチルフェニル}-2-メチルベンズアミド
  • N-{4-[(5S)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl]-3-methylphenyl}-2-methylbenzamide
Other name (5):
  • N-[3-Methyl-4-[[(5S)-5α-hydroxy-7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepine-1-yl]carbonyl]phenyl]-2-methylbenzamide
  • (S)-OPC-41061
  • S-Tolvaptan
  • S-トルバブタン
  • S-トルバプタン
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