3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane Hydrochloride
[CAS# 126054-44-2]

Identification

• Name: 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane Hydrochloride
• Synonyms: [2-[[(3S,5S,10S,13S,17S)-17-(Cyanomethyl-Methyl-Amino)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Oxo-Ethyl]-Trimethyl-Ammonium Chloride; [2-[[(3S,5S,10S,13S,17S)-17-(Cyanomethyl-Methylamino)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Oxoethyl]-Trimethylammonium Chloride; [2-[[(3S,5S,10S,13S,17S)-17-(Cyanomethyl-Methyl-Amino)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Keto-Ethyl]-Trimethyl-Ammonium Chloride
• Molecular Formula: C₂₇H₄₆ClN₃O₂
• Molecular Weight: 480.13
• CAS Registry Number: 126054-44-2
• SMILES: [C@H]1(OC(C[N+](C)(C)C)=O)CC[C@]3([C@H](C1)CCC4C2CC[C@@H]([C@@]2(C)CCC34)N(C)CC#N)C.[Cl-]
• InChI: 1S/C27H46N3O2.ClH/c1-26-13-11-20(32-25(31)18-30(4,5)6)17-19(26)7-8-21-22-9-10-24(29(3)16-15-28)27(22,2)14-12-23(21)26;/h19-24H,7-14,16-18H2,1-6H3;1H/q+1;/p-1/t19-,20-,21?,22?,23?,24-,26-,27-;/m0./s1
• InChIKey: PWDNSFYKBRGRQH-YYOVPXGGSA-M