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CHEBI:16664 - albendazole

ChEBI IDCHEBI:16664
ChEBI Namealbendazole
Stars
DefinitionA carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a propylsulfanyl group at position 5. It is commonly used in the treatment of parasitic worm infestations.
Secondary ChEBI IDsCHEBI:2545, CHEBI:13751, CHEBI:22286
Last Modified26 February 2018
DownloadsMolfile

FormulaC12H15N3O2S
Net Charge0
Average Mass265.338
Monoisotopic Mass265.08850
SMILESCCCSc1ccc2nc(NC(=O)OC)nc2c1
InChIInChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyHXHWSAZORRCQMX-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate
Synonyms  Source
AlbendazoleKEGG COMPOUND
(5-(propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl esterChemIDplus
5-(propylthio)-2-carbomethoxyaminobenzimidazoleChemIDplus
O-methyl N-(5-(propylthio)-2-benzimidazolyl)carbamateChemIDplus
AlbenzaChemIDplus
EskazoleChemIDplus
UniProt Name  Source
albendazoleUniProt
Manual XrefsDatabases
C01779KEGG COMPOUND
AlbendazoleWikipedia
DB00518DrugBank
ALBENDAZOLEMetaCyc
HMDB0014659HMDB
D00134KEGG DRUG
albendazoleAlan Wood's Pesticides
LSM-3782LINCS
103DrugCentral
895VSDB
Registry NumbersSources
Reaxys:752696Reaxys
CAS:54965-21-8KEGG COMPOUND
CAS:54965-21-8ChemIDplus
Citations