CHEBI:140182 - hydroxyalbendazole

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ChEBI Name hydroxyalbendazole ChEBI ID CHEBI:140182 Definition A 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the class of benzimidazoles that is albendazole in which one of the terminal methyl hydrogens on the propyl group has been replaced by a hydroxy group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H15N3O3S Net Charge 0 Average Mass 281.332 Monoisotopic Mass 281.08341 InChI InChI=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) InChIKey BPWSOQXIMDMJHB-UHFFFAOYSA-N SMILES C=12C=CC(=CC1N=C(N2)NC(OC)=O)SCCCO Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): drug metabolite View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Synonym Source hydroxyalbendazole UniProt Manual Xref Database CPD-20523 MetaCyc View more database links Registry Number Type Source 26531878 Reaxys Registry Number Reaxys Citation Type Source 23959307 PubMed citation SUBMITTER Last Modified 26 February 2018