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CHEBI:140182 - hydroxyalbendazole

ChEBI IDCHEBI:140182
ChEBI Namehydroxyalbendazole
Stars
DefinitionA member of the class of benzimidazoles that is albendazole in which one of the terminal methyl hydrogens on the propyl group has been replaced by a hydroxy group.
Last Modified26 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H15N3O3S
Net Charge0
Average Mass281.337
Monoisotopic Mass281.08341
SMILESCOC(=O)Nc1nc2ccc(SCCCO)cc2n1
InChIInChI=1S/C12H15N3O3S/c1-18-12(17)15-11-13-9-4-3-8(7-10(9)14-11)19-6-2-5-16/h3-4,7,16H,2,5-6H2,1H3,(H2,13,14,15,17)
InChIKeyBPWSOQXIMDMJHB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23959307)
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
hydroxyalbendazole (CHEBI:140182) has functional parent albendazole (CHEBI:16664)
hydroxyalbendazole (CHEBI:140182) has role drug metabolite (CHEBI:49103)
hydroxyalbendazole (CHEBI:140182) is a aryl sulfide (CHEBI:35683)
hydroxyalbendazole (CHEBI:140182) is a benzimidazoles (CHEBI:22715)
hydroxyalbendazole (CHEBI:140182) is a carbamate ester (CHEBI:23003)
hydroxyalbendazole (CHEBI:140182) is a primary alcohol (CHEBI:15734)
IUPAC Name 
methyl {5-[(3-hydroxypropyl)sulfanyl]-1H-benzimidazol-2-yl}carbamate
UniProt Name  Source
hydroxyalbendazoleUniProt
Manual XrefsDatabases
CPD-20523MetaCyc
Registry NumbersSources
Reaxys:26531878Reaxys
Citations