(3beta,5alpha)-3-(4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-17a-Aza-D-homoandrostan-17-one
[CAS# 68426-41-5]

Identification

• Name: (3beta,5alpha)-3-(4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-17a-Aza-D-homoandrostan-17-one
• Synonyms: 4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoic Acid [(4As,4Br,6As,8S,10As,10Bs,12As)-10A,12A-Dimethyl-2-Oxo-3,4,4A,4B,5,6,6A,7,8,9,10,10B,11,12-Tetradecahydro-1H-Naphtho[6,5-F]Quinolin-8-Yl] Ester; 4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butyric Acid [(4As,4Br,6As,8S,10As,10Bs,12As)-2-Keto-10A,12A-Dimethyl-3,4,4A,4B,5,6,6A,7,8,9,10,10B,11,12-Tetradecahydro-1H-Naphtho[6,5-F]Quinolin-8-Yl] Ester; 3-Hydroxy-13,17-Secoandrostan-17-Oic-13,17-Lactam (4-(Bis(2-Chloroethyl)Amino)Phenyl)Butyrate
• Molecular Formula: C₃₃H₄₈Cl₂N₂O₃
• Molecular Weight: 591.66
• CAS Registry Number: 68426-41-5
• SMILES: [C@@H]2(OC(CCCC1=CC=C(C=C1)N(CCCl)CCCl)=O)C[C@H]3[C@](CC2)([C@@H]4[C@@H](CC3)[C@H]5[C@](CC4)(NC(CC5)=O)C)C
• InChI: 1S/C33H48Cl2N2O3/c1-32-16-14-26(22-24(32)8-11-27-28(32)15-17-33(2)29(27)12-13-30(38)36-33)40-31(39)5-3-4-23-6-9-25(10-7-23)37(20-18-34)21-19-35/h6-7,9-10,24,26-29H,3-5,8,11-22H2,1-2H3,(H,36,38)/t24-,26-,27+,28-,29-,32-,33-/m0/s1
• InChIKey: RZUXNVWHBNYWOU-YFZVQILUSA-N

Properties

• Density: 1.199g/cm³ (Cal.)
• Boiling point: 717.116°C at 760 mmHg (Cal.)
• Flash point: 387.498°C (Cal.)