Ezetimibe phenoxy glucuronide-D4
HIT212670792
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HIT ID: HIT212670792
Cas No: 1426174-41-5
分子式: C30H29F2NO9
分子量: 589.581
常用名: Ezetimibe phenoxy glucuronide-D4
常用名: Ezetimibe phenoxy glucuronide-D4
氢键受体数 (HBA): 9
氢键供体数 (HBD): 5
LogP: 2.6113343
IUPAC: (2S,3S,4S,5R,6S)-6-{4-[(2S,3R)-1-[4-fluoro(2,3,5,6-2H4)phenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC: (2S,3S,4S,5R,6S)-6-{4-[(2S,3R)-1-[4-fluoro(2,3,5,6-2H4)phenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: [2H]c1c([2H])c(c([2H])c([2H])c1F)N1[C@@H]([C@@H](CC[C@H](O)c2ccc(F)cc2)C1=O)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1
SMILES: [2H]c1c([2H])c(c([2H])c([2H])c1F)N1[C@@H]([C@@H](CC[C@H](O)c2ccc(F)cc2)C1=O)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1
InChI key: UOFYCFMTERCNEW-MKSNJYNSSA-N
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