benzbromarone (CHEBI:3023)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	benzbromarone

ChEBI ID	CHEBI:3023

Definition	1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.

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

Supplier Information

Download	Molfile XML SDF

Formula

C17H12Br2O3

Net Charge

Average Mass

424.08338

Monoisotopic Mass

421.91532

InChI

InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3

InChIKey

WHQCHUCQKNIQEC-UHFFFAOYSA-N

SMILES

CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1

Roles Classification
Application(s):	uricosuric drug A gout suppressant that acts directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma.

ChEBI Ontology
Outgoing	benzbromarone (CHEBI:3023) has functional parent 2,6-dibromophenol (CHEBI:19391) benzbromarone (CHEBI:3023) has role uricosuric drug (CHEBI:35841) benzbromarone (CHEBI:3023) is a 1-benzofurans (CHEBI:38830) benzbromarone (CHEBI:3023) is a aromatic ketone (CHEBI:76224)

IUPAC Name

(3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone

Synonyms	Sources
2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran	ChemIDplus
3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone	ChemIDplus
Benzbromarone	KEGG DRUG
Uroleap (TN)	KEGG DRUG

Last Modified

13 June 2017