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5-hydroxydiclofenac quinone imine

Go to external page http://purl.obolibrary.org/obo/CHEBI_59611

A quinone imine that is a metabolite of diclofenac arising from 5-hydroxylation followed by oxidation.

Term info

Label

5-hydroxydiclofenac quinone imine

Synonyms
  • {(6E)-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dien-1-yl}acetic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
{(6E)-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dien-1-yl}acetic acid [ IUPAC ]

charge

0

formula

C14H9Cl2NO3

has obo namespace

chebi_ontology

has related synonym

5-hydroxy diclofenac benzoquinone

id

CHEBI:59611

inchi

InChI=1S/C14H9Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6H,7H2,(H,19,20)/b17-12+

inchikey

GTSUHSLLLCOPRM-SFQUDFHCSA-N

mass

310.13200

monoisotopicmass

308.99595

smiles

OC(=O)CC1=CC(=O)C=C\C\1=N/c1c(Cl)cccc1Cl