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CHEBI:35812 - oxfendazole

ChEBI IDCHEBI:35812
ChEBI Nameoxfendazole
Stars
DefinitionA member of the class of benzimidazoles that is fenbendazole in which the sulfur has been oxidised to the corresponding sulfoxide.
Last Modified20 December 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H13N3O3S
Net Charge0
Average Mass315.354
Monoisotopic Mass315.06776
SMILESCOC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2n1
InChIInChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyBEZZFPOZAYTVHN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Application:
antinematodal drug  A substance used in the treatment or control of nematode infestations.
ChEBI Ontology
Outgoing Relation(s)
oxfendazole (CHEBI:35812) has functional parent fenbendazole (CHEBI:77092)
oxfendazole (CHEBI:35812) has role antinematodal drug (CHEBI:35444)
oxfendazole (CHEBI:35812) is a benzimidazoles (CHEBI:22715)
oxfendazole (CHEBI:35812) is a carbamate ester (CHEBI:23003)
oxfendazole (CHEBI:35812) is a sulfoxide (CHEBI:22063)
IUPAC Name 
methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate
Synonyms  Source
(5-(phenylsulfinyl)-1H-benzimidazol-2-yl)carbamic acid methyl esterChemIDplus
5-(phenylsulfinyl)-2-benzimidazolecarbamic acid methyl esterChemIDplus
5-phenylsulfinyl-2-carbomethoxyaminobenzimidazoleChemIDplus
Fenbendazole sulfoxideChEBI
OFDZChemIDplus
UniProt Name  Source
fenbendazole S-oxideUniProt
Manual XrefsDatabases
OxfendazoleWikipedia
LSM-1466LINCS
1757VSDB
Registry NumbersSources
Beilstein:761290Beilstein
CAS:53716-50-0ChemIDplus