Name: (±)-4-hydroxy Propranolol β-D-Glucuronide
Rating: 5 (10 reviews)

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HIT ID:HIT212726947
Cas No:94731-13-2
常用名:(±)-4-hydroxy Propranolol β-D-Glucuronide
常用名:(±)-4-hydroxy Propranolol β-D-Glucuronide
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
InChI key:GCESUDQAKCEBSY-MBOKBCRSSA-N

分子式:C22H29NO9
分子量:451.472
氢键供体数 (HBD):6
氢键受体数 (HBA):10
LogP:-2.1395996
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

(±)-4-hydroxy Propranolol β-D-glucuronide is a metabolite of (±)-4-hydroxy propranolol , which is a metabolite of propranolol. The apparent half-life of (±)-4-hydroxy propranolol β-D-glucuronide is similar to propranolol and 4-hydroxy propranolol. Propranolol is a β-adrenergic antagonist, and the active enantiomer, (S)-(-)-propranolol , has log Kd values of -8.16, -9.08, and -6.93 for β1, β2, and β3, respectively.

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