3beta-[[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetyl]Oxy]Androst-5-En-17-One
[CAS# 24141-90-0]

Identification

• Name: 3beta-[[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetyl]Oxy]Androst-5-En-17-One
• Synonyms: 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [(3S,8R,9S,10R,13S,14S)-17-Keto-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Ethanoate
• Molecular Formula: C₃₁H₄₁Cl₂NO₃
• Molecular Weight: 546.58
• CAS Registry Number: 24141-90-0
• 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([C@H]4CCC5=O)C
• InChI: 1S/C31H41Cl2NO3/c1-30-13-11-24(37-29(36)19-21-3-6-23(7-4-21)34(17-15-32)18-16-33)20-22(30)5-8-25-26-9-10-28(35)31(26,2)14-12-27(25)30/h3-7,24-27H,8-20H2,1-2H3/t24-,25-,26-,27-,30-,31-/m0/s1
• InChIKey: XMEZZNCIZQQXCV-AXOMYGEFSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 650.004°C at 760 mmHg (Cal.)
• Flash point: 346.91°C (Cal.)