CHEBI:3023 - benzbromarone

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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
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Formula C17H12Br2O3
Net Charge 0
Average Mass 424.08338
Monoisotopic Mass 421.915
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.
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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
Database Links Databases
318 DrugCentral
D01056 KEGG DRUG
LSM-2239 LINCS
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Registry Numbers Types Sources
273668 Beilstein Registry Number Beilstein
3562-84-3 CAS Registry Number ChemIDplus
3562-84-3 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
18636784 PubMed citation Europe PMC
26693855 PubMed citation Europe PMC
26792818 PubMed citation Europe PMC
27391386 PubMed citation Europe PMC
28131653 PubMed citation Europe PMC
28166217 PubMed citation Europe PMC
28202260 PubMed citation Europe PMC
7661033 PubMed citation Europe PMC
Last Modified
13 June 2017