Name: Atropine sulfate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212005413
Cas No:55-48-1
常用名:Atropine sulfate
IUPAC:bis((1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate); sulfuric acid
IUPAC:bis((1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate); sulfuric acid
InChI key:HOBWAPHTEJGALG-AADVZIIPSA-N

分子式:C34H48N2O10S
分子量:676.82
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:1.571241
SMILES:OS(O)(=O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)N2C.[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)N2C |TLB:27:26:12.11.13:8.7,50:49:35.34.36:31.30|
SMILES:OS(O)(=O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)N2C.[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)N2C |TLB:27:26:12.11.13:8.7,50:49:35.34.36:31.30|

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