3-(((4-(Bis(2-Chloroethyl)Amino)Phenyl)Acetyl)Oxy)-17alpha-Aza-D-Homoandrost-5-En-17-One
[CAS# 53039-94-4]

Identification

• Name: 3-(((4-(Bis(2-Chloroethyl)Amino)Phenyl)Acetyl)Oxy)-17alpha-Aza-D-Homoandrost-5-En-17-One
• Synonyms: 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [(4As,4Br,8S,10Ar,10Bs,12As)-10A,12A-Dimethyl-2-Oxo-3,4,4A,4B,5,7,8,9,10,10B,11,12-Dodecahydro-1H-Naphtho[6,5-F]Quinolin-8-Yl] Ester; 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [(4As,4Br,8S,10Ar,10Bs,12As)-2-Keto-10A,12A-Dimethyl-3,4,4A,4B,5,7,8,9,10,10B,11,12-Dodecahydro-1H-Naphtho[6,5-F]Quinolin-8-Yl] Ester; [(4As,4Br,8S,10Ar,10Bs,12As)-10A,12A-Dimethyl-2-Oxo-3,4,4A,4B,5,7,8,9,10,10B,11,12-Dodecahydro-1H-Naphtho[6,5-F]Quinolin-8-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Ethanoate
• Molecular Formula: C₃₁H₄₂Cl₂N₂O₃
• Molecular Weight: 561.59
• CAS Registry Number: 53039-94-4
• SMILES: [C@H]14[C@@H]([C@@]3(C(=CC1)C[C@@H](OC(=O)CC2=CC=C(N(CCCl)CCCl)C=C2)CC3)C)CC[C@@]5(NC(=O)CC[C@@H]45)C
• InChI: 1S/C31H42Cl2N2O3/c1-30-13-11-24(38-29(37)19-21-3-6-23(7-4-21)35(17-15-32)18-16-33)20-22(30)5-8-25-26(30)12-14-31(2)27(25)9-10-28(36)34-31/h3-7,24-27H,8-20H2,1-2H3,(H,34,36)/t24-,25+,26-,27-,30-,31-/m0/s1
• InChIKey: REYWQKDXELGBMI-DIUBKPNJSA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 700.791°C at 760 mmHg (Cal.)
• Flash point: 377.625°C (Cal.)