Sodium 4-Methyl-4-Aza-3-Oxo-5alpha-Pregnane-20-Carboxylate
[CAS# 85531-68-6]

Identification

• Name: Sodium 4-Methyl-4-Aza-3-Oxo-5alpha-Pregnane-20-Carboxylate
• Synonyms: Sodium (2S)-2-[(1R,5Ar,9Ar,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]Propionate; 4-Methyl-4-Aza-3-Oxopregnane-20-Carboxylate; Maopc
• Molecular Formula: C₂₂H₃₄NNaO₃
• Molecular Weight: 383.51
• CAS Registry Number: 85531-68-6
• SMILES: [C@]34(C(C2C([C@@]1([C@H](N(C(=O)CC1)C)CC2)C)CC3)CC[C@@H]4[C@@H](C([O-])=O)C)C.[Na+]
• InChI: 1S/C22H35NO3.Na/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);/q;+1/p-1/t13-,14?,15+,16?,17?,18+,21+,22+;/m0./s1
• InChIKey: YYCUWBQVSXIUSK-MMWNSLJISA-M

Properties

• Boiling point: 518.9°C at 760 mmHg (Cal.)
• Flash point: 267.6°C (Cal.)