2-Bromo-N-[(10R,13S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]Acetamide
[CAS# 79862-68-3]

Identification

• Name: 2-Bromo-N-[(10R,13S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]Acetamide
• Synonyms: 2-Bromo-N-[(10R,13S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Acetamide; 2-Bromo-N-[(10R,13S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Ethanamide; 17Beta-Bromoacetylamino-4-Androsten-3-One
• Molecular Formula: C₂₁H₃₀BrNO₂
• Molecular Weight: 408.38
• CAS Registry Number: 79862-68-3
• SMILES: [C@H]3(NC(CBr)=O)CCC4C2CCC1=CC(CC[C@@]1(C2CC[C@]34C)C)=O
• InChI: 1S/C21H30BrNO2/c1-20-9-7-14(24)11-13(20)3-4-15-16-5-6-18(23-19(25)12-22)21(16,2)10-8-17(15)20/h11,15-18H,3-10,12H2,1-2H3,(H,23,25)/t15?,16?,17?,18-,20-,21-/m0/s1
• InChIKey: ALELCXPHBFSCGQ-RQNRYYCNSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 552.852°C at 760 mmHg (Cal.)
• Flash point: 288.155°C (Cal.)