Pipecuronium bromide
[CAS# 68399-58-6]

Identification

• Name: Pipecuronium bromide
• Synonyms: [(2S,3S,10S,13S,16S,17R)-3-Acetoxy-2,16-Bis(4,4-Dimethylpiperazin-4-Ium-1-Yl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Acetate Dibromide; Acetic Acid [(2S,3S,10S,13S,16S,17R)-3-Acetoxy-2,16-Bis(4,4-Dimethyl-1-Piperazin-4-Iumyl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester Dibromide; Acetic Acid [(2S,3S,10S,13S,16S,17R)-3-Acetoxy-2,16-Bis(4,4-Dimethylpiperazin-4-Ium-1-Yl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester Dibromide
• Molecular Formula: C₃₅H₆₂Br₂N₄O₄
• Molecular Weight: 762.71
• CAS Registry Number: 68399-58-6
• SMILES: [C@]45(C(C1C([C@@]2(C(CC1)C[C@@H]([C@H](C2)N3CC[N+](CC3)(C)C)OC(C)=O)C)CC4)C[C@@H]([C@@H]5OC(C)=O)N6CC[N+](CC6)(C)C)C.[Br-].[Br-]
• InChI: 1S/C35H62N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h26-33H,9-23H2,1-8H3;2*1H/q+2;;/p-2/t26?,27?,28?,29?,30-,31-,32-,33-,34-,35-;;/m0../s1
• InChIKey: TXWBOBJCRVVBJF-XRMDBSGISA-L