(8R,9S,10R,13S,14S,17S)-17-[Bis(2-Chloroethyl)Amino]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 33068-77-8]

Identification

• Name: (8R,9S,10R,13S,14S,17S)-17-[Bis(2-Chloroethyl)Amino]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: 17-Beta-Bis(2-Chloroethyl)Aminoandrost-4-En-3-One; Androst-4-En-3-One, 17-Beta-Bis(2-Chloroethyl)Amino-
• Molecular Formula: C₂₃H₃₅Cl₂NO
• Molecular Weight: 412.44
• CAS Registry Number: 33068-77-8
• SMILES: [C@H]24[C@H]1[C@@]([C@@H](N(CCCl)CCCl)CC1)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C
• InChI: 1S/C23H35Cl2NO/c1-22-9-7-17(27)15-16(22)3-4-18-19-5-6-21(26(13-11-24)14-12-25)23(19,2)10-8-20(18)22/h15,18-21H,3-14H2,1-2H3/t18-,19-,20-,21-,22-,23-/m0/s1
• InChIKey: MUDUBLGOHBPCKH-LLINQDLYSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 478.269°C at 760 mmHg (Cal.)
• Flash point: 243.048°C (Cal.)