(±)-4-hydroxy Propranolol β-D-Glucuronide
HIT212726947
sdf文件结构编辑类似物检索
HIT ID: HIT212726947
Cas No: 94731-13-2
分子式: C22H29NO9
分子量: 451.472
常用名: (±)-4-hydroxy Propranolol β-D-Glucuronide
常用名: (±)-4-hydroxy Propranolol β-D-Glucuronide
氢键受体数 (HBA): 10
氢键供体数 (HBD): 6
LogP: -2.1395996
IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}naphthalen-1-yl)oxy]oxane-2-carboxylic acid
IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}naphthalen-1-yl)oxy]oxane-2-carboxylic acid
SMILES: CC(C)NCC(O)COc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c2ccccc12
SMILES: CC(C)NCC(O)COc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c2ccccc12
InChI key: GCESUDQAKCEBSY-MBOKBCRSSA-N
共显示2个结果
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TargetMol
SC
497035日内发货 购物车
AA Blocks
BB
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