(4aR,6aS,7S,9bS)-N-(1-Hydroxy-2-Methyl-2-Propanyl)-4A,6A-Dimethyl-2-Oxo-2,4A,4B,5,6,6A,7,8,9,9A,9B,10,11,11A-Tetradecahydro-1H-Indeno[5,4-f]Quinoline-7-Carboxamide
[CAS# 116285-36-0]

Identification

• Name: (4aR,6aS,7S,9bS)-N-(1-Hydroxy-2-Methyl-2-Propanyl)-4A,6A-Dimethyl-2-Oxo-2,4A,4B,5,6,6A,7,8,9,9A,9B,10,11,11A-Tetradecahydro-1H-Indeno[5,4-f]Quinoline-7-Carboxamide
• Synonyms: Finasteride 2-(2-Methylpropanol)amide
• Molecular Formula: C₂₃H₃₆N₂O₃
• Molecular Weight: 388.54
• CAS Registry Number: 116285-36-0
• SMILES: C[C@]12CCC3[C@H](C1CC[C@@H]2C(=O)NC(C)(C)CO)CCC4[C@@]3(C=CC(=O)N4)C
• InChI: 1S/C23H36N2O3/c1-21(2,13-26)25-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)24-18)16(14)9-11-22(15,17)3/h10,12,14-18,26H,5-9,11,13H2,1-4H3,(H,24,27)(H,25,28)/t14-,15?,16?,17+,18?,22-,23+/m0/s1
• InChIKey: MFUJYZCMHDCXGQ-UDOHWUOLSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 624.841°C at 760 mmHg (Cal.)
• Flash point: 331.692°C (Cal.)
• Refractive index: 1.537 (Cal.)