Products 1196787-40-2

CAS 1196787-40-2 is the registry number for Finasteride Carboxylic Acid Acyl-beta-D-glucuronide. Offered by: TRC. Available pack sizes: 25mg.

Finasteride Carboxylic Acid Acyl-beta-D-glucuronide
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 1196787-40-2) is a chemical compound with the molecular formula C29H42N2O10 and a molecular weight of 578.7 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: XCAHIQQKLPVTDT-WQIHUYEGSA-N.

Identity
Molecular formulaC29H42N2O10
Molecular weight578.7 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyXCAHIQQKLPVTDT-WQIHUYEGSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CC[C@@H]5[C@@]3(C=CC(=O)N5)C

Computed by PubChem (NCBI)

Synonyms: Finasteride Carboxylic Acid Acyl-?-D-glucuronide