[(2S,3S,5S,10S,13S,16S,17R)-3-Acetyloxy-10,13-Dimethyl-2-Piperidin-1-Yl-16-(1-Prop-2-Enylpiperidin-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] Propanoate Bromide
[CAS# 156137-99-4]

Identification

• Name: [(2S,3S,5S,10S,13S,16S,17R)-3-Acetyloxy-10,13-Dimethyl-2-Piperidin-1-Yl-16-(1-Prop-2-Enylpiperidin-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] Propanoate Bromide
• Synonyms: [(2S,3S,5S,10S,13S,16S,17R)-3-Acetoxy-16-(1-Allylpiperidin-1-Ium-1-Yl)-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-17-Yl] Propanoate Bromide; Propanoic Acid [(2S,3S,5S,10S,13S,16S,17R)-3-Acetoxy-16-(1-Allyl-1-Piperidin-1-Iumyl)-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-17-Yl] Ester Bromide; Acetic Acid [(2S,3S,5S,10S,13S,16S,17R)-16-(1-Allylpiperidin-1-Ium-1-Yl)-10,13-Dimethyl-2-Piperidino-17-Propionyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester Bromide
• Molecular Formula: C₃₇H₆₁BrN₂O₄
• Molecular Weight: 677.80
• CAS Registry Number: 156137-99-4
• SMILES: [C@H]1([C@H](C[C@]4([C@H](C1)CCC5C3C[C@H]([N+]2(CCCCC2)CC=C)[C@@H]([C@@]3(C)CCC45)OC(CC)=O)C)N6CCCCC6)OC(=O)C.[Br-]
• InChI: 1S/C37H61N2O4.BrH/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2;/h6,27-33,35H,1,7-25H2,2-5H3;1H/q+1;/p-1/t27-,28?,29?,30?,31-,32-,33-,35-,36-,37-;/m0./s1
• InChIKey: LVQTUXZKLGXYIU-AZEHQEOFSA-M