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CHEBI:16959 - albendazole S-oxide

ChEBI IDCHEBI:16959
ChEBI Namealbendazole S-oxide
Stars
ASCII Namealbendazole S-oxide
Secondary ChEBI IDsCHEBI:2546, CHEBI:13752, CHEBI:22287
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H15N3O3S
Net Charge0
Average Mass281.337
Monoisotopic Mass281.08341
SMILESCCCS(=O)c1ccc2nc(NC(=O)OC)nc2c1
InChIInChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyVXTGHWHFYNYFFV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
albendazole S-oxide (CHEBI:16959) has functional parent albendazole (CHEBI:16664)
albendazole S-oxide (CHEBI:16959) is a sulfoxide (CHEBI:22063)
Incoming Relation(s)
(R)-albendazole S-oxide (CHEBI:40763) is a albendazole S-oxide (CHEBI:16959)
(S)-albendazole S-oxide (CHEBI:38950) is a albendazole S-oxide (CHEBI:16959)
IUPAC Name 
methyl [5-(propylsulfinyl)-1H-benzimidazol-2-yl]carbamate
Synonyms  Source
Albendazole S-oxideKEGG COMPOUND
albendazole oxideChemIDplus
albendazole sulfoxideChemIDplus
RicobendazoleChemIDplus
RycobendazoleChemIDplus
(±)-albendazole sulfoxideChemIDplus
UniProt Name  Source
albendazole S-oxideUniProt
Manual XrefsDatabases
C02809KEGG COMPOUND
D07106KEGG DRUG
104DrugCentral
Registry NumbersSources
Beilstein:677664Beilstein
CAS:54029-12-8ChemIDplus