1-(2-Chloroethyl)-3-[2-[(3S,7R,10R,13R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-7-Yl]Ethyl]-1-Nitrosourea
[CAS# 164120-26-7]

Identification

• Name: 1-(2-Chloroethyl)-3-[2-[(3S,7R,10R,13R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-7-Yl]Ethyl]-1-Nitrosourea
• Synonyms: 1-(2-Chloroethyl)-3-[2-[(3S,7R,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-7-Yl]Ethyl]-1-Nitroso-Urea; 1-(2-Chloroethyl)-3-[2-[(3S,7R,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-7-Yl]Ethyl]-1-Nitrosourea; 1-(2-Chloroethyl)-3-[2-[(3S,7R,10R,13R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-7-Yl]Ethyl]-1-Nitroso-Urea
• Molecular Formula: C₃₂H₅₄ClN₃O₃
• Molecular Weight: 564.25
• CAS Registry Number: 164120-26-7
• SMILES: [C@]34(C(C1C([C@@]2(C(=C[C@@H]1CCNC(=O)N(N=O)CCCl)C[C@@H](O)CC2)C)CC3)CC[C@@H]4[C@@H](CCCC(C)C)C)C
• InChI: 1S/C32H54ClN3O3/c1-21(2)7-6-8-22(3)26-9-10-27-29-23(13-17-34-30(38)36(35-39)18-16-33)19-24-20-25(37)11-14-31(24,4)28(29)12-15-32(26,27)5/h19,21-23,25-29,37H,6-18,20H2,1-5H3,(H,34,38)/t22-,23+,25+,26-,27?,28?,29?,31+,32-/m1/s1
• InChIKey: XTCOHWUSVRKHQA-ZSVLFXOESA-N

Properties

• Density: 1.225g/cm³ (Cal.)