4'-hydroxydiclofenac (CHEBI:59613)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	4'-hydroxydiclofenac

ChEBI ID	CHEBI:59613

Definition	A monocarboxylic acid that is the 4'-hydroxylated metabolite of diclofenac.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C14H11Cl2NO3

Net Charge

Average Mass

312.14800

Monoisotopic Mass

311.01160

InChI

InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)

InChIKey

KGVXVPRLBMWZLG-UHFFFAOYSA-N

SMILES

OC(=O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. drug metabolite

ChEBI Ontology
Outgoing	4'-hydroxydiclofenac (CHEBI:59613) has functional parent diclofenac (CHEBI:47381) 4'-hydroxydiclofenac (CHEBI:59613) has role allergen (CHEBI:50904) 4'-hydroxydiclofenac (CHEBI:59613) has role drug metabolite (CHEBI:49103) 4'-hydroxydiclofenac (CHEBI:59613) is a dichlorobenzene (CHEBI:23697) 4'-hydroxydiclofenac (CHEBI:59613) is a monocarboxylic acid (CHEBI:25384) 4'-hydroxydiclofenac (CHEBI:59613) is a phenols (CHEBI:33853) 4'-hydroxydiclofenac (CHEBI:59613) is a secondary amino compound (CHEBI:50995)

IUPAC Name

{2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid

Synonyms	Sources
(o-(2,6-Dichloro-4-hydroxyanilino)phenyl)acetic acid	ChemIDplus
4'-hydroxy diclofenac	ChEBI
4'-OH DCF	ChEBI

Last Modified

12 March 2019