Rapacuronium bromide
HIT212686733
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HIT ID: HIT212686733
Cas No: 156137-99-4
分子式: C37H61BrN2O4
分子量: 677.809
常用名: Rapacuronium bromide
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 2.3238747
IUPAC: 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-7-(acetyloxy)-9a,11a-dimethyl-8-(piperidin-1-yl)-1-(propanoyloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-(prop-2-en-1-yl)piperidin-1-ium bromide
IUPAC: 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-7-(acetyloxy)-9a,11a-dimethyl-8-(piperidin-1-yl)-1-(propanoyloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-(prop-2-en-1-yl)piperidin-1-ium bromide
SMILES: [Br-].[H][C@@]12C[C@@H]([C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(CC=C)CCCCC1
SMILES: [Br-].[H][C@@]12C[C@@H]([C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(CC=C)CCCCC1
InChI key: LVQTUXZKLGXYIU-GWSNJHLMSA-M
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