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diclofenac beta-D-glucosiduronic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_59609

A beta-D-glucosiduronic acid (beta-D-glucuronide) that is a metabolite of diclofenac.

Term info

Label

diclofenac beta-D-glucosiduronic acid

Synonyms
  • 1-O-({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)-beta-D-glucopyranuronic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
1-O-({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)-beta-D-glucopyranuronic acid [ IUPAC ]

charge

0

formula

C20H19Cl2NO8

has obo namespace

chebi_ontology

has related synonym

diclofenac acyl glucuronide, diclofenac glucuronide, diclofenac O-glucuronide

id

CHEBI:59609

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

mass

472.27300

monoisotopicmass

471.04877

smiles

O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl