EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3023 - benzbromarone

ChEBI IDCHEBI:3023
ChEBI Namebenzbromarone
Stars
Definition1-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.
Last Modified13 June 2017
DownloadsMolfile
FormulaC17H12Br2O3
Net Charge0
Average Mass424.088
Monoisotopic Mass421.91532
SMILESCCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=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
InChIKeyWHQCHUCQKNIQEC-UHFFFAOYSA-N
Roles Classification
Application:
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 Relation(s)
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  Source
2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuranChemIDplus
3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketoneChemIDplus
BenzbromaroneKEGG DRUG
Uroleap (TN)KEGG DRUG
Manual XrefsDatabases
318DrugCentral
D01056KEGG DRUG
LSM-2239LINCS
Registry NumbersSources
Beilstein:273668Beilstein
CAS:3562-84-3ChemIDplus
CAS:3562-84-3KEGG DRUG
Citations