17-Oxo-5-Androsten-3beta-Yl-N,N-Bis(2'-Chloroethyl)Carbamate
[CAS# 2998-59-6]

Identification

• Name: 17-Oxo-5-Androsten-3beta-Yl-N,N-Bis(2'-Chloroethyl)Carbamate
• Synonyms: N,N-Bis(2-Chloroethyl)Carbamic Acid [(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; N,N-Bis(2-Chloroethyl)Carbamic Acid [(3S,8R,9S,10R,13S,14S)-17-Keto-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 17-Oxo-5-Androsten-3Beta-Yl-N,N-Bis(2'-Chloroethyl)Carbamate
• Molecular Formula: C₂₄H₃₅Cl₂NO₃
• Molecular Weight: 456.45
• CAS Registry Number: 2998-59-6
• SMILES: [C@H]13[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)N(CCCl)CCCl)CC2)C)CC[C@]4([C@H]3CCC4=O)C
• InChI: 1S/C24H35Cl2NO3/c1-23-9-7-17(30-22(29)27(13-11-25)14-12-26)15-16(23)3-4-18-19-5-6-21(28)24(19,2)10-8-20(18)23/h3,17-20H,4-15H2,1-2H3/t17-,18-,19-,20-,23-,24-/m0/s1
• InChIKey: BSRCNLJKQGEGIF-IGJOJHROSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 553.978°C at 760 mmHg (Cal.)
• Flash point: 288.835°C (Cal.)