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CHEBI:177645 - benurestat

Default Structure
ChEBI IDCHEBI:177645
ChEBI Namebenurestat
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H9ClN2O3
Net Charge0
Average Mass228.635
Monoisotopic Mass228.03017
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NO
InChIInChI=1S/C9H9ClN2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(13)12-15/h1-4,15H,5H2,(H,11,14)(H,12,13)
InChIKeyJFZGBMJPJZDNNT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
benurestat (CHEBI:177645) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
4-chloro-N-[2-(hydroxyamino)-2-oxoethyl]benzamide
Manual XrefsDatabases
34835ChemSpider
D03086KEGG DRUG
Registry NumbersSources
CAS:38274-54-3ChemIDplus