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Chemical structure of CAS 64118-81-6

Diclofenac acyl glucuronide

CAS No.64118-81-6
MDL No.N/A
MFC20H19Cl2NO8
MW472.30
InChI KeyJXIKYYSIYCILNG-HBWRTXEVSA-N
CUSTOM SYNTHESISPRECLINICAL SUPPORT

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Product Information

Diclofenac beta-D-glucosiduronic acid is a beta-D-glucuronide metabolite of diclofenac. It functions as a drug metabolite and is classified as a beta-D-glucosiduronic acid, a dichlorobenzene, a monocarboxylic acid, and a secondary amino compound. It is functionally related to diclofenac.

CAS No.64118-81-6
Product NameDiclofenac acyl glucuronide
Heavy Atom Count31Rotatable Bond Count6
Atom Stereo Count5Bond Stereo Count0
HBA8HBD5
TPSA145.550 ŲCharge0
Exact Mass471.04877Complexity951.70
pKa2.550XLogP1.715

Related Articles

Studies related to this compound and its mechanism of action

Effect of UGT2B7*2 and CYP2C8*4 polymorphisms on diclofenac metabolism.

Toxicology letters • Vol. 284 • 2018
PMID: 29203276DOI: 10.1016/j.toxlet.2017.11.038

Toxicological evaluation of acyl glucuronides utilizing half-lives, peptide adducts, and immunostimulation assays.

Toxicology in vitro : an international journal published in association with BIBRA • Vol. 30, Issue 1 Pt B • 2015
PMID: 26528891DOI: 10.1016/j.tiv.2015.10.013

Consequences of Mrp2 deficiency for diclofenac toxicity in the rat intestine ex vivo.

Toxicology in vitro : an international journal published in association with BIBRA • Vol. 29, Issue 1 • 2015
PMID: 25450747DOI: 10.1016/j.tiv.2014.10.004

Investigation of the immunogenicity of diclofenac and diclofenac metabolites.

Toxicology letters • Vol. 168, Issue 1 • 2007
PMID: 17123753DOI: 10.1016/j.toxlet.2006.10.014

Documentation

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