3-Hydroxy-13,17-seco-5-androsten-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate
[CAS# 107480-21-7]

Identification

• Name: 3-Hydroxy-13,17-seco-5-androsten-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate
• Synonyms: 4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoic Acid [(4As,4Br,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; 4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butyric Acid [(4As,4Br,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; 17A-Aza-D-Homoandrost-5-En-17-One, 3-(4-(4-(Bis(2-Chloroethyl)Amino)Phenyl)-1-Oxobutoxy)-, (3Beta)-
• Molecular Formula: C₃₃H₄₆Cl₂N₂O₃
• Molecular Weight: 589.64
• CAS Registry Number: 107480-21-7
• SMILES: [C@H]14[C@@H]([C@@]3(C(=CC1)CC(OC(=O)CCCC2=CC=C(N(CCCl)CCCl)C=C2)CC3)C)CC[C@@]5(NC(=O)CC[C@@H]45)C
• InChI: 1S/C33H46Cl2N2O3/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/h6-10,26-29H,3-5,11-22H2,1-2H3,(H,36,38)/t26?,27-,28+,29+,32+,33+/m1/s1
• InChIKey: PBKHSKUCHZCYLT-AVMGXJNKSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 726.701°C at 760 mmHg (Cal.)
• Flash point: 393.295°C (Cal.)