4-Methyl-4-Aza-3-Oxopregnan-20-carboxylic acid
[CAS# 92472-61-2]

Identification

• Name: 4-Methyl-4-Aza-3-Oxopregnan-20-carboxylic acid
• Synonyms: (2S)-2-[(1R,3As,3Bs,5Ar,9Ar,9Bs,11As)-7-Keto-6,9A,11A-Trimethyl-2,3,3A,3B,4,5,5A,8,9,9B,10,11-Dodecahydro-1H-Indeno[5,4-F]Quinolin-1-Yl]Propionic Acid; 4-Mapc; 4-Methyl-4-Aza-3-Oxo-5Alpha-Pregnan-20-Carboxylate
• Molecular Formula: C₂₂H₃₅NO₃
• Molecular Weight: 361.52
• CAS Registry Number: 92472-61-2
• SMILES: [C@H]12N(C(CC[C@@]1([C@@H]4[C@@H](CC2)[C@@H]3CC[C@H]([C@H](C)C(=O)O)[C@@]3(C)CC4)C)=O)C
• InChI: 1S/C22H35NO3/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2/h13-18H,5-12H2,1-4H3,(H,25,26)/t13-,14-,15+,16-,17-,18+,21+,22+/m0/s1
• InChIKey: SXZYCRORGALMIH-VNKQRKCFSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 518.853°C at 760 mmHg (Cal.)
• Flash point: 267.593°C (Cal.)