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3'-hydroxy-4'-methoxydiclofenac

Go to external page http://purl.obolibrary.org/obo/CHEBI_223404

An organochlorine compound that is a metabolite of diclofenac having hydroxy and methoxy groups at positions 3' and 4' respectively..

Term info

Label

3'-hydroxy-4'-methoxydiclofenac

Synonyms
  • {2-[(2,6-dichloro-3-hydroxy-4-methoxyphenyl)amino]phenyl}acetic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
{2-[(2,6-dichloro-3-hydroxy-4-methoxyphenyl)amino]phenyl}acetic acid [ IUPAC ]

charge

0

formula

C15H13Cl2NO4

has obo namespace

chebi_ontology

id

CHEBI:223404

inchi

InChI=1S/C15H13Cl2NO4/c1-22-11-7-9(16)14(13(17)15(11)21)18-10-5-3-2-4-8(10)6-12(19)20/h2-5,7,18,21H,6H2,1H3,(H,19,20)

inchikey

YALZBLAHGKGDMB-UHFFFAOYSA-N

mass

342.17400

monoisotopicmass

341.02216

smiles

COc1cc(Cl)c(Nc2ccccc2CC(O)=O)c(Cl)c1O