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
Applications:
gout suppressant  A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout.
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.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
benzbromarone (CHEBI:3023) has functional parent 2,6-dibromophenol (CHEBI:19391)
benzbromarone (CHEBI:3023) has role antihypertensive agent (CHEBI:35674)
benzbromarone (CHEBI:3023) has role gout suppressant (CHEBI:35845)
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)
benzbromarone (CHEBI:3023) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone
INN  Source
benzbromaronaWHO MedNet
Synonyms  Source
2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuranChemIDplus
3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketoneChemIDplus
BenzbromaroneKEGG DRUG
BenzpromaroneChEMBL
L-2214ChEMBL
MJ 10061ChEMBL
Brand Names  Source
DesuricChEMBL
Narcaricin miteChEMBL
Manual XrefsDatabases
318DrugCentral
D01056KEGG DRUG
LSM-2239LINCS
Registry NumbersSources
Beilstein:273668Beilstein
CAS:3562-84-3KEGG DRUG
CAS:3562-84-3ChemIDplus
Citations