17-beta-Hydroxy-4-aza-alpha-nor-5-androsten-3-one-N,N-bis-(2-chloroethyl)aminophenylbutyrate
[CAS# 107534-94-1]

Identification

• Name: 17-beta-Hydroxy-4-aza-alpha-nor-5-androsten-3-one-N,N-bis-(2-chloroethyl)aminophenylbutyrate
• Synonyms: 4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoic Acid (9A,11A-Dimethyl-7-Oxo-1,2,3,3A,3B,4,6,8,9,9B,10,11-Dodecahydroindeno[5,4-F]Quinolin-1-Yl) Ester; 4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butyric Acid (7-Keto-9A,11A-Dimethyl-1,2,3,3A,3B,4,6,8,9,9B,10,11-Dodecahydroindeno[5,4-F]Quinolin-1-Yl) Ester; 17-Hydroxy-4-Aza-A-Nor-5-Androsten-3-One (4-N,N-Bis(2-Chloroethylamino)Phenyl)Butyrate
• Molecular Formula: C₃₂H₄₄Cl₂N₂O₃
• Molecular Weight: 575.62
• CAS Registry Number: 107534-94-1
• SMILES: C1=CC(=CC=C1CCCC(OC5C4(C(C2C(C3(C(=CC2)NC(CC3)=O)C)CC4)CC5)C)=O)N(CCCl)CCCl
• InChI: 1S/C32H44Cl2N2O3/c1-31-17-15-29(37)35-27(31)12-10-24-25-11-13-28(32(25,2)16-14-26(24)31)39-30(38)5-3-4-22-6-8-23(9-7-22)36(20-18-33)21-19-34/h6-9,12,24-26,28H,3-5,10-11,13-21H2,1-2H3,(H,35,37)
• InChIKey: ZWUCNQLCSQYDDQ-UHFFFAOYSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Boiling point: 722.643°C at 760 mmHg (Cal.)
• Flash point: 390.84°C (Cal.)