Synonyms |
Diclofenac acyl glucuronide; Diclofenac glucuronide; CHEBI:59609; Diclofenac beta-D-glucosiduronic acid; UNII-C8BEZ13XEN; C8BEZ13XEN; CHEMBL3527338; 64118-81-6; 1-O-({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)-beta-D-glucopyranuronic acid; Diclofenac acyl-D-glucuronide; Diclofenac O-glucuronide; Epitope ID:131803; Diclofenac-beta-D-glucuronide; SCHEMBL4258872; Diclofenac-acyl-beta-D-glucuronide; BDBM50088512; ZINC35048352; Q27126801; 2-(2,6-Dichloroanilino)phenylacetic acid beta-D-glucopyranuronosyl ester
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Chemical Identifiers |
- Formula
- C20H19Cl2NO8
- IUPAC Name
(2S,3S,4S,5R,6S)-6-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- Canonical SMILES
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C1=CC=C(C(=C1)CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)NC3=C(C=CC=C3Cl)Cl
- InChI
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JXIKYYSIYCILNG-HBWRTXEVSA-N
- InChIKey
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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
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