Pipecuronium

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-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-3-yl] acetate

Also Known As: PIPECURONIUM|Pipecurium|Arduan|Raplon|Pipecurium bromide|PIPECURONIUM BROMIDE|Arduan (TN)|Dibromide Pipecuronium|RefChem:863382|D0XX6Y|AC1L18MB|1N3O74HM92|PIPECURONIUM [VANDF]|PIPECURONIUM [WHO-DD]|Dihydrate Pipecuronium Dibromide|Dibromide, Dihydrate Pipecuronium|RGH-1106|J269.460C|C07554|Q20817188|[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-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-3-yl] acetate|Piperazinium, 4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1,1-dimethyl)|4-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-4-(4,4-dimethylpiperazin-4-ium-1-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1,1-dimethylpiperazin-1-ium|Piperazinium, 4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1,1-dimethyl-|3alpha,17beta-Bis(acetyloxy)-2beta,16beta-bis(4,4-dimethylpiperazin-4-ium-1-yl)-5alpha-androstane|4,4 -[3alpha,17beta-Bis(acetyloxy)-5alpha-androstane-2beta,16beta-diyl]bis[1,1-dimethylpiperazinium]|4-((1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-4-(4,4-dimethylpiperazin-4-ium-1-yl)-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadecan-13-yl)-1,1-dimethylpiperazin-1-ium|4-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-bis(acetyloxy)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-8-yl]-1,1-dimethylpiperazin-1-ium

Molecular Formula	C35H62N4O4+2
Molecular Weight	602.4771 g/mol
LogP	3.63
Topological Polar Surface Area	59.08 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	602.4771
Heavy Atoms	43
Complexity	1060.1

Chemical Identifiers

CAS Number	68399-58-6
SMILES	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CC[N+](CC6)(C)C)C