Name: Etodolac Acyl Glucuronide
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214321484
Cas No:79541-43-8
常用名:Etodolac Acyl Glucuronide
IUPAC:(2S,3S,4S,5R,6S)-6-[(2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6S)-6-[(2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI key:XJZNMEMKZBFUIZ-GWDFKZQESA-N

分子式:C23H29NO9
分子量:463.483
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1cccc2c3CCOC(CC)(CC(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)c3[nH]c12
SMILES:CCc1cccc2c3CCOC(CC)(CC(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)c3[nH]c12

Etodolac acyl glucuronide is a phase II metabolite of the non-steroidal anti-inflammatory drug (NSAID) and COX inhibitor etodolac .1It is formedviaglucuronidation of etodolac by the UDP-glucuronosyltransferase (UGT) isoforms UGT1A9, UGT1A10, and UGT2B7.

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