Flutropium Bromide
HIT212709560
sdf文件结构编辑类似物检索
HIT ID: HIT212709560
Cas No: 63516-07-4
分子式: C24H29BrFNO3
分子量: 478.402
常用名: Flutropium Bromide
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: -0.705768
IUPAC: (1R,3S,5S,8S)-8-(2-fluoroethyl)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide
IUPAC: (1R,3S,5S,8S)-8-(2-fluoroethyl)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide
SMILES: [Br-].[H][C@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1)[N@+]2(C)CCF |THB:29:27:7.8.9:3.4,28:27:7.8.9:3.4|
SMILES: [Br-].[H][C@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1)[N@+]2(C)CCF |THB:29:27:7.8.9:3.4,28:27:7.8.9:3.4|
InChI key: FNUZASGZEHGWQM-BZUXCDCISA-M
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