5-alpha-pregnan-3-beta,20-alpha-ylenebis(trimethyl-Ammonium)diiodide
[CAS# 10308-44-8]

Identification

• Name: 5-alpha-pregnan-3-beta,20-alpha-ylenebis(trimethyl-Ammonium)diiodide
• Synonyms: [(1S)-1-[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-3-Trimethylammonio-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]-Trimethyl-Ammonium Diiodide; [(1S)-1-[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-3-Trimethylammonio-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]-Trimethylammonium Diiodide; [(1S)-1-[(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-3-Trimethylazaniumyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]-Trimethyl-Azanium Diiodide
• Molecular Formula: C₂₇H₅₂I₂N₂
• Molecular Weight: 658.53
• CAS Registry Number: 10308-44-8
• SMILES: [C@@H]1(CC[C@]3([C@H](C1)CC[C@H]4[C@@H]2CCC([C@H](C)[N+](C)(C)C)[C@@]2(C)CC[C@H]34)C)[N+](C)(C)C.[I-].[I-]
• InChI: 1S/C27H52N2.2HI/c1-19(28(4,5)6)23-12-13-24-22-11-10-20-18-21(29(7,8)9)14-16-26(20,2)25(22)15-17-27(23,24)3;;/h19-25H,10-18H2,1-9H3;2*1H/q+2;;/p-2/t19-,20-,21-,22-,23?,24-,25-,26-,27+;;/m0../s1
• InChIKey: ZKPCQHGEQUQGJK-NJRMFZBNSA-L