Name: Rapacuronium bromide
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212686733
Cas No:156137-99-4
常用名:Rapacuronium bromide
别名:Org 9487
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
InChI key:LVQTUXZKLGXYIU-GWSNJHLMSA-M

分子式:C37H61BrN2O4
分子量:677.809
氢键供体数 (HBD):0
氢键受体数 (HBA):3
LogP:2.3238747
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

Rapacuronium bromide is an allosteric muscarinic acetylcholine receptor (mAChR) modulator.

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