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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
Biological Roles:
microtubule-destabilising agent  Any substance that interacts with tubulin to inhibit polymerisation of microtubules.
tubulin modulator  Any substance that interacts with tubulin to inhibit or promote polymerisation of microtubules.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
Applications:
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
albendazole (CHEBI:16664) has role anthelminthic drug (CHEBI:35443)
albendazole (CHEBI:16664) has role microtubule-destabilising agent (CHEBI:61951)
albendazole (CHEBI:16664) has role tubulin modulator (CHEBI:60832)
albendazole (CHEBI:16664) is a aryl sulfide (CHEBI:35683)
albendazole (CHEBI:16664) is a benzimidazoles (CHEBI:22715)
albendazole (CHEBI:16664) is a benzimidazolylcarbamate fungicide (CHEBI:87064)
albendazole (CHEBI:16664) is a carbamate ester (CHEBI:23003)
Incoming Relation(s)
albendazole S-oxide (CHEBI:16959) has functional parent albendazole (CHEBI:16664)
hydroxyalbendazole (CHEBI:140182) has functional parent albendazole (CHEBI:16664)
IUPAC Name 
methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate
Synonyms  Source
(5-(propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl esterChemIDplus
5-(propylthio)-2-carbomethoxyaminobenzimidazoleChemIDplus
AlbendazoleKEGG COMPOUND
AlbenzaChemIDplus
O-methyl N-(5-(propylthio)-2-benzimidazolyl)carbamateChemIDplus
EskazoleChemIDplus
UniProt Name  Source
albendazoleUniProt
Manual XrefsDatabases
103DrugCentral
895VSDB
albendazoleAlan Wood's Pesticides
AlbendazoleWikipedia
ALBENDAZOLEMetaCyc
C01779KEGG COMPOUND
D00134KEGG DRUG
DB00518DrugBank
HMDB0014659HMDB
LSM-3782LINCS
Registry NumbersSources
Reaxys:752696Reaxys
CAS:54965-21-8ChemIDplus
CAS:54965-21-8KEGG COMPOUND
Citations