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CHEBI:90929 - lesinurad

ChEBI IDCHEBI:90929
ChEBI Namelesinurad
Stars
DefinitionA member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC17H14BrN3O2S
Net Charge0
Average Mass404.289
Monoisotopic Mass402.99901
SMILESO=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)
InChIKeyFGQFOYHRJSUHMR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
lesinurad (CHEBI:90929) has role uricosuric drug (CHEBI:35841)
lesinurad (CHEBI:90929) is a aryl sulfide (CHEBI:35683)
lesinurad (CHEBI:90929) is a cyclopropanes (CHEBI:51454)
lesinurad (CHEBI:90929) is a monocarboxylic acid (CHEBI:25384)
lesinurad (CHEBI:90929) is a naphthalenes (CHEBI:25477)
lesinurad (CHEBI:90929) is a organobromine compound (CHEBI:37141)
lesinurad (CHEBI:90929) is a triazoles (CHEBI:35727)
IUPAC Name 
{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
INN  Source
lesinuradChemIDplus
Synonyms  Source
RDEA 594ChemIDplus
RDEA594ChemIDplus
Brand Name  Source
ZurampicChemIDplus
Manual XrefsDatabases
5075DrugCentral
D09921KEGG DRUG
LesinuradWikipedia
Registry NumbersSources
Reaxys:12932464Reaxys
CAS:878672-00-5KEGG DRUG
CAS:878672-00-5ChemIDplus
Citations