[(3S,10R,13S,17S)-17-Acetamido-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetate
[CAS# 110312-92-0]

Identification

• Name: [(3S,10R,13S,17S)-17-Acetamido-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetate
• Synonyms: 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [(3S,10R,13S,17S)-17-Acetamido-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,10R,13S,17S)-17-Acetamido-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Ethanoate; Benzeneacetic Acid, 4-(Bis(2-Chloroethyl)Amino)-, (3Beta,17Beta)-17-(Acetylamino)Androst-5-En-3-Yl Ester
• Molecular Formula: C₃₃H₄₆Cl₂N₂O₃
• Molecular Weight: 589.64
• CAS Registry Number: 110312-92-0
• SMILES: [C@]45(C(C1C([C@@]3(C(=CC1)C[C@@H](OC(=O)CC2=CC=C(N(CCCl)CCCl)C=C2)CC3)C)CC4)CC[C@@H]5NC(=O)C)C
• InChI: 1S/C33H46Cl2N2O3/c1-22(38)36-30-11-10-28-27-9-6-24-21-26(12-14-32(24,2)29(27)13-15-33(28,30)3)40-31(39)20-23-4-7-25(8-5-23)37(18-16-34)19-17-35/h4-8,26-30H,9-21H2,1-3H3,(H,36,38)/t26-,27?,28?,29?,30-,32-,33-/m0/s1
• InChIKey: OGAQVUGJYFZLEO-KXOMOVGCSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 716.358°C at 760 mmHg (Cal.)
• Flash point: 387.039°C (Cal.)