N-(3-(Oleoyloxy)androst-5-en-17-yl(pentyloxycarbonyl))-N-N-bis(2-chloroethyl)amine
[CAS# 90343-98-9]

Identification

• Name: N-(3-(Oleoyloxy)androst-5-en-17-yl(pentyloxycarbonyl))-N-N-bis(2-chloroethyl)amine
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-4-[Bis(2-Chloroethyl)Carbamoyloxy]-1-Methyl-Butyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] (Z)-Octadec-9-Enoate; (Z)-Octadec-9-Enoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17
• Molecular Formula: C₄₇H₇₉Cl₂NO₄
• Molecular Weight: 793.05
• CAS Registry Number: 90343-98-9
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCOC(=O)N(CCCl)CCCl)C)C
• InChI: 1S/C47H79Cl2NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-44(51)54-39-27-29-46(3)38(36-39)23-24-40-42-26-25-41(47(42,4)30-28-43(40)46)37(2)21-20-35-53-45(52)50(33-31-48)34-32-49/h12-13,23,37,39-43H,5-11,14-22,24-36H2,1-4H3/b13-12-/t37-,39+,40+,41-,42+
• InChIKey: ZYRFGAQSKXTMJV-DYXKCHOISA-N

Properties

• Density: 1.069g/cm³ (Cal.)
• Boiling point: 772.062°C at 760 mmHg (Cal.)
• Flash point: 420.728°C (Cal.)