Diclofenac acyl glucuronide

• CAT Number: R006077
• CAS Number: 64118-81-6
• Molecular Formula: C20H19Cl2NO8
• Molecular Weight: 472.27
• Purity: ≥95%
• Synonyms: (2S,3S,4S,5R,6S)-6-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• InChI: InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1
• InChIKey: JXIKYYSIYCILNG-HBWRTXEVSA-N
• SMILES: C1=CC=C(C(=C1)CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)NC3=C(C=CC=C3Cl)Cl

Diclofenac acyl glucuronide (D-1-O-G) is a major bile metabolite directly involved in small intestinal ulceration in rats[1].

Reference

[1]. Seitz S, et al. Diclofenac acyl glucuronide, a major biliary metabolite, is directly involved in small intestinal injury in rats. Gastroenterology. 1998 Dec;115(6):1476-82.
 [Content Brief]