1-[(3R,5R,8S,10S,13S,14S,17S)-10,13-Dimethyl-3-(1-Methylpyrrolidin-1-Ium-1-Yl)-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-1-Methylpyrrolidin-1-Ium Diiodide
[CAS# 79868-89-6]

Identification

• Name: 1-[(3R,5R,8S,10S,13S,14S,17S)-10,13-Dimethyl-3-(1-Methylpyrrolidin-1-Ium-1-Yl)-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-1-Methylpyrrolidin-1-Ium Diiodide
• Synonyms: 1-[(3R,5R,8S,10S,13S,14S,17S)-10,13-Dimethyl-3-(1-Methylpyrrolidin-1-Ium-1-Yl)-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Methyl-Pyrrolidin-1-Ium Diiodide; 1-[(3R,5R,8S,10S,13S,14S,17S)-10,13-Dimethyl-3-(1-Methyl-1-Pyrrolidin-1-Iumyl)-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Methylpyrrolidin-1-Ium Diiodide; 3Alpha,17Beta-Dipyrrolidin-1'-Yl-5Beta-Delta(9,11)-Androstene Dimethiodide
• Molecular Formula: C₂₉H₅₀I₂N₂
• Molecular Weight: 680.54
• CAS Registry Number: 79868-89-6
• SMILES: [C@H]13[C@H]4C(=CC[C@@]1([C@@H]([N+]2(CCCC2)C)CC3)C)[C@@]6([C@H](CC4)C[C@H]([N+]5(CCCC5)C)CC6)C.[I-].[I-]
• InChI: 1S/C29H50N2.2HI/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;;/h14,22-25,27H,5-13,15-21H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24+,25+,27+,28+,29+;;/m1../s1
• InChIKey: HNWZERWXVHYEQG-PTQRBVSASA-L