CHEBI:59613 - 4'-hydroxydiclofenac

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4'-hydroxydiclofenac
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
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Formula C14H11Cl2NO3
Net Charge 0
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)
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

View more via ChEBI Ontology
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)
{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
Registry Numbers Types Sources
4198042 Beilstein Registry Number Beilstein
4198042 Reaxys Registry Number Reaxys
64118-84-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
12 March 2019