Deferasirox acyl-β-D-glucuronide
HIT219586355
sdf文件结构编辑类似物检索
HIT ID: HIT219586355
Cas No: 1233196-91-2
分子式: C27H23N3O10
分子量: 549.492
常用名: Deferasirox acyl-β-D-glucuronide
常用名: Deferasirox acyl-β-D-glucuronide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S,4S,5R,6S)-6-{4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoyloxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC: (2S,3S,4S,5R,6S)-6-{4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoyloxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O[C@H]1[C@H](OC(=O)c2ccc(cc2)-n2nc(nc2-c2ccccc2O)-c2ccccc2O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
SMILES: O[C@H]1[C@H](OC(=O)c2ccc(cc2)-n2nc(nc2-c2ccccc2O)-c2ccccc2O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
InChI key: YSCGZJLIVXVFPM-AWZWVWSRSA-N
共显示1个结果
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