Name: 4'-Hydroxy atomoxetine β-D-glucuronide
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219586305
Cas No:540729-08-6
常用名:4'-Hydroxy atomoxetine β-D-glucuronide
常用名:4'-Hydroxy atomoxetine β-D-glucuronide
别名:4'-羟基托莫西汀β-D-葡糖苷酸
IUPAC:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{3-methyl-4-[(1R)-3-(methylamino)-1-phenylpropoxy]phenoxy}oxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{3-methyl-4-[(1R)-3-(methylamino)-1-phenylpropoxy]phenoxy}oxane-2-carboxylic acid
InChI key:DJWNPJFKTPNTAE-AJYYVVFWSA-N

分子式:C23H29NO8
分子量:447.484
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNCC[C@@H](Oc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1C)c1ccccc1
SMILES:CNCC[C@@H](Oc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1C)c1ccccc1

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