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CHEBI:77095 - flubendazole

ChEBI IDCHEBI:77095
ChEBI Nameflubendazole
Stars
DefinitionA member of the class of mebendazole in which the benzoyl group is replaced by a p-fluorobenzoyl group. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections.
Last Modified22 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H12FN3O3
Net Charge0
Average Mass313.288
Monoisotopic Mass313.08627
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccc(F)cc3)cc2n1
InChIInChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
InChIKeyCPEUVMUXAHMANV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
teratogenic agent  A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
Application:
antinematodal drug  A substance used in the treatment or control of nematode infestations.
ChEBI Ontology
Outgoing Relation(s)
flubendazole (CHEBI:77095) has role antinematodal drug (CHEBI:35444)
flubendazole (CHEBI:77095) has role teratogenic agent (CHEBI:50905)
flubendazole (CHEBI:77095) is a aromatic ketone (CHEBI:76224)
flubendazole (CHEBI:77095) is a benzimidazoles (CHEBI:22715)
flubendazole (CHEBI:77095) is a carbamate ester (CHEBI:23003)
flubendazole (CHEBI:77095) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
methyl [5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate
INNs  Source
flubendazolWHO MedNet
flubendazoleWHO MedNet
flubendazolumWHO MedNet
flubendazoleWHO MedNet
Synonyms  Source
(5-(4-fluorobenzoyl)-1H-benzimidazole-2-yl)carbamic acid methyl esterChemIDplus
R 17,889ChemIDplus
methyl 5-(p-fluorobenzoyl)-2-benzimidazolecarbamateChemIDplus
Methyl N-(5-(p-fluorobenzoyl)-2-benzimidazolyl)carbamateChemIDplus
R 17899ChemIDplus
Manual XrefsDatabases
D04200KEGG DRUG
FlubendazoleWikipedia
DE2029637Patent
US3657267Patent
LSM-5916LINCS
1186DrugCentral
Registry NumbersSources
Reaxys:763480Reaxys
CAS:31430-15-6ChemIDplus
Citations