CHEBI:16959 - albendazole S-oxide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name albendazole S-oxide
ChEBI ID CHEBI:16959
ChEBI ASCII Name albendazole S-oxide
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2546, CHEBI:13752, CHEBI:22287
Supplier Information
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Formula C12H15N3O3S
Net Charge 0
Average Mass 281.33192
Monoisotopic Mass 281.083
InChI InChI=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)
InChIKey VXTGHWHFYNYFFV-UHFFFAOYSA-N
SMILES CCCS(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1
ChEBI Ontology
Outgoing albendazole S-oxide (CHEBI:16959) has functional parent albendazole (CHEBI:16664)
albendazole S-oxide (CHEBI:16959) is a sulfoxide (CHEBI:22063)
Incoming (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 Sources
(±)-albendazole sulfoxide ChemIDplus
albendazole oxide ChemIDplus
Albendazole S-oxide KEGG COMPOUND
albendazole S-oxide UniProt
albendazole sulfoxide ChemIDplus
Ricobendazole ChemIDplus
Rycobendazole ChemIDplus
Manual Xrefs Databases
104 DrugCentral
C02809 KEGG COMPOUND
D07106 KEGG DRUG
View more database links
Registry Numbers Types Sources
54029-12-8 CAS Registry Number ChemIDplus
677664 Beilstein Registry Number Beilstein
Last Modified
22 February 2017