1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-(1-Methylpyrrolidin-1-Ium-1-Yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-1-Methylpyrrolidin-1-Ium Diiodide
[CAS# 33235-64-2]

Identification

• Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-(1-Methylpyrrolidin-1-Ium-1-Yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-1-Methylpyrrolidin-1-Ium Diiodide
• Synonyms: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-(1-Methylpyrrolidin-1-Ium-1-Yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Methyl-Pyrrolidin-1-Ium Diiodide; 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-(1-Methyl-1-Pyrrolidin-1-Iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Methylpyrrolidin-1-Ium Diiodide; 1,1'-Androstan-3Beta,17Beta-Diylbis(1-Methylpyrrolidinium)
• Molecular Formula: C₂₉H₅₂I₂N₂
• Molecular Weight: 682.55
• CAS Registry Number: 33235-64-2
• SMILES: [C@@H]1(CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[N+]5(CCCC5)C)C)C)[N+]6(CCCC6)C.[I-].[I-]
• InChI: 1S/C29H52N2.2HI/c1-28-15-13-23(30(3)17-5-6-18-30)21-22(28)9-10-24-25-11-12-27(31(4)19-7-8-20-31)29(25,2)16-14-26(24)28;;/h22-27H,5-21H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24-,25-,26-,27-,28-,29-;;/m0../s1
• InChIKey: MFQJSNKMXLSFCD-UADHMQRGSA-L