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4'-hydroxydiclofenac quinone imine

Go to external page http://purl.obolibrary.org/obo/CHEBI_59610

A quinone imine that is a metabolite of diclofenac arising from 4'-hydroxylation followed by oxidation.

Term info

Label

4'-hydroxydiclofenac quinone imine

Synonyms
  • {2-[(2,6-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}acetic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
{2-[(2,6-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}acetic acid [ IUPAC ]

charge

0

formula

C14H9Cl2NO3

has obo namespace

chebi_ontology

has related synonym

4'-hydroxy diclofenac benzoquinone

id

CHEBI:59610

inchi

InChI=1S/C14H9Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7H,5H2,(H,19,20)

inchikey

SKLQQURDEJYWEY-UHFFFAOYSA-N

mass

310.13200

monoisotopicmass

308.99595

smiles

OC(=O)Cc1ccccc1N=C1C(Cl)=CC(=O)C=C1Cl