17-Hydroxy-3-Aza-alpha-Homo-4-Androsten-4-One (4-(Bis(2-Chloroethyl)Amino)Phenyl)Butyrate
[CAS# 99876-94-5]

Identification

• Name: 17-Hydroxy-3-Aza-alpha-Homo-4-Androsten-4-One (4-(Bis(2-Chloroethyl)Amino)Phenyl)Butyrate
• Synonyms: 3-Aza-A-Homoandrost-4A-En-4-One, 17-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxobutoxy]-, (17B)-; Aids-001697; Aids001697
• Molecular Formula: C₃₃H₄₆Cl₂N₂O₃
• Molecular Weight: 589.64
• CAS Registry Number: 99876-94-5
• SMILES: [C@H]35[C@H]2[C@@]([C@@H](OC(=O)CCCC1=CC=C(N(CCCl)CCCl)C=C1)CC2)(CC[C@@H]3[C@@]4(C(=CC(=O)NCC4)CC5)C)C
• InChI: 1S/C33H46Cl2N2O3/c1-32-16-19-36-30(38)22-24(32)8-11-26-27-12-13-29(33(27,2)15-14-28(26)32)40-31(39)5-3-4-23-6-9-25(10-7-23)37(20-17-34)21-18-35/h6-7,9-10,22,26-29H,3-5,8,11-21H2,1-2H3,(H,36,38)/t26-,27-,28-,29-,32-,33-/m0/s1
• InChIKey: KXMXWVJKEUSIIB-ODNAPOIPSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 731.898°C at 760 mmHg (Cal.)
• Flash point: 396.438°C (Cal.)