1-[(2R,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methyl-piperidin-1-ium bromide
[CAS# 115952-48-2]

Identification

• Name: 1-[(2R,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methyl-piperidin-1-ium bromide
• Synonyms: 1-[(2R,5S,8S,9S,10S,13R,14S,16S)-10,13-Dimethyl-2-(1-Piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-16-Yl]-1-Methyl-Piperidin-1-Ium Bromide; 1-[(2R,5S,8S,9S,10S,13R,14S,16S)-10,13-Dimethyl-2-(1-Piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-16-Yl]-1-Methylpiperidin-1-Ium Bromide; 1-[(2R,5S,8S,9S,10S,13R,14S,16S)-10,13-Dimethyl-2-Piperidino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-16-Yl]-1-Methyl-Piperidin-1-Ium Bromide
• Molecular Formula: C₃₀H₅₃BrN₂
• Molecular Weight: 521.67
• CAS Registry Number: 115952-48-2
• SMILES: [C@@H]12[C@@]5([C@@H](CC[C@H]1[C@H]4[C@](CC2)(C[C@@H]([N+]3(CCCCC3)C)C4)C)CC[C@H](C5)N6CCCCC6)C.[Br-]
• InChI: 1S/C30H53N2.BrH/c1-29-15-14-27-26(28(29)20-25(22-29)32(3)18-8-5-9-19-32)13-11-23-10-12-24(21-30(23,27)2)31-16-6-4-7-17-31;/h23-28H,4-22H2,1-3H3;1H/q+1;/p-1/t23-,24-,25+,26-,27+,28+,29-,30+;/m1./s1
• InChIKey: AQMVPBLWUQDAHJ-LPSBBQSESA-M