Pipecuronium bromide
HIT214314686
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HIT ID: HIT214314686
Cas No: 52212-02-9
分子式: C35H62BrN4O4
分子量: 682.808
常用名: Pipecuronium bromide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 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 bromide
IUPAC: 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 bromide
SMILES: [Br-].[H][C@@]1(C[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](OC(C)=O)[C@]([H])(C[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@H]1OC(C)=O)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1
SMILES: [Br-].[H][C@@]1(C[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](OC(C)=O)[C@]([H])(C[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@H]1OC(C)=O)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1
InChI key: FMUOAYRSFAPXFH-MHLFSCIFSA-M
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