N-[(20S)-4beta-Acetoxy-20-(Dimethylamino)-5alpha-Pregnan-3alpha-Yl]-N-Methylbenzamide
[CAS# 6879-28-3]

Identification

• Name: N-[(20S)-4beta-Acetoxy-20-(Dimethylamino)-5alpha-Pregnan-3alpha-Yl]-N-Methylbenzamide
• Synonyms: [(4R,5R,10R,13S,17S)-3-(Benzoyl-Methyl-Amino)-17-(1-Dimethylaminoethyl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-4-Yl] Acetate; Acetic Acid [(4R,5R,10R,13S,17S)-17-(1-Dimethylaminoethyl)-10,13-Dimethyl-3-[Methyl-(Oxo-Phenylmethyl)Amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-4-Yl] Ester; Acetic Acid [(4R,5R,10R,13S,17S)-3-(Benzoyl-Methyl-Amino)-17-(1-Dimethylaminoethyl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-4-Yl] Ester
• Molecular Formula: C₃₃H₅₀N₂O₃
• Molecular Weight: 522.77
• CAS Registry Number: 6879-28-3
• SMILES: [C@@H]5(C(C)N(C)C)[C@@]4(C(C3CC[C@H]2[C@H](C(N(C(C1=CC=CC=C1)=O)C)CC[C@@]2(C3CC4)C)OC(=O)C)CC5)C
• InChI: 1S/C33H50N2O3/c1-21(34(5)6)25-15-16-26-24-13-14-28-30(38-22(2)36)29(35(7)31(37)23-11-9-8-10-12-23)18-20-33(28,4)27(24)17-19-32(25,26)3/h8-12,21,24-30H,13-20H2,1-7H3/t21?,24?,25-,26?,27?,28+,29?,30-,32-,33-/m1/s1
• InChIKey: ZQUSGHWWSCAMAR-BIVHXRCOSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 599.899°C at 760 mmHg (Cal.)
• Flash point: 316.608°C (Cal.)