Tiotropium bromide
HIT212083272
sdf文件结构编辑类似物检索
HIT ID: HIT212083272
Cas No: 136310-93-5
分子式: C19H22BrNO4S2
分子量: 472.41
常用名: Tiotropium bromide
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: -1.7572837
IUPAC: (1R,2R,4S,5S,7S)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
IUPAC: (1R,2R,4S,5S,7S)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
SMILES: [Br-].[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1
SMILES: [Br-].[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1
InChI key: DQHNAVOVODVIMG-FOGIBKMMSA-M
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