N-{[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-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]Quinolin-7-Yl]Carbonyl}-2-Methylalanine
[CAS# 116285-37-1]

Identification

• Name: N-{[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-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]Quinolin-7-Yl]Carbonyl}-2-Methylalanine
• Synonyms: 2-METHYL-N-[[(5α,17β)-3-OXO-4-AZAANDROST-1-EN-17-YL]CARBONYL]-ALANINE; Finasteride Carboxylic Acid
• Molecular Formula: C₂₃H₃₄N₂O₄
• Molecular Weight: 402.53
• CAS Registry Number: 116285-37-1
• SMILES: OC(=O)C(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)\C=C/[C@]12C
• InChI: 1S/C23H34N2O4/c1-21(2,20(28)29)25-19(27)16-7-6-14-13-5-8-17-23(4,12-10-18(26)24-17)15(13)9-11-22(14,16)3/h10,12-17H,5-9,11H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)/t13-,14-,15-,16+,17+,22-,23+/m0/s1
• InChIKey: OFTBMAPJHKDDJV-MKMSXTRJSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 658.334°C at 760 mmHg (Cal.)
• Flash point: 351.948°C (Cal.)
• Refractive index: 1.542 (Cal.)