[(3S,5S,10S,13S,17S)-17-Acetamido-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetate
[CAS# 110320-70-2]

Identification

• Name: [(3S,5S,10S,13S,17S)-17-Acetamido-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-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,5S,10S,13S,17S)-17-Acetamido-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,10S,13S,17S)-17-Acetamido-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Ethanoate; (3Beta,5Alpha,17Beta)-17-(Acetylamino)Androstan-3-Yl 4-(Bis(2-Chloroethyl)Amino)Benzeneacetate
• Molecular Formula: C₃₃H₄₈Cl₂N₂O₃
• Molecular Weight: 591.66
• CAS Registry Number: 110320-70-2
• SMILES: [C@H]2(OC(CC1=CC=C(C=C1)N(CCCl)CCCl)=O)CC[C@]4([C@H](C2)CCC5C3CC[C@@H]([C@@]3(C)CCC45)NC(=O)C)C
• InChI: 1S/C33H48Cl2N2O3/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/h4-5,7-8,24,26-30H,6,9-21H2,1-3H3,(H,36,38)/t24-,26-,27?,28?,29?,30-,32-,33-/m0/s1
• InChIKey: BLLAWDFADRSHFN-IYYPERTOSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 707.002°C at 760 mmHg (Cal.)
• Flash point: 381.381°C (Cal.)