CHEBI:77095 - flubendazole

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ChEBI Name flubendazole
ChEBI ID CHEBI:77095
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H12FN3O3
Net Charge 0
Average Mass 313.28320
Monoisotopic Mass 313.086
InChI InChI=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)
InChIKey CPEUVMUXAHMANV-UHFFFAOYSA-N
SMILES COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1ccc(F)cc1
Roles Classification
Biological Role(s): 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(s): antinematodal drug
A substance used in the treatment or control of nematode infestations.
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ChEBI Ontology
Outgoing 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 Sources
flubendazol WHO MedNet
flubendazole WHO MedNet
flubendazole WHO MedNet
flubendazolum WHO MedNet
Synonyms Sources
(5-(4-fluorobenzoyl)-1H-benzimidazole-2-yl)carbamic acid methyl ester ChemIDplus
methyl 5-(p-fluorobenzoyl)-2-benzimidazolecarbamate ChemIDplus
Methyl N-(5-(p-fluorobenzoyl)-2-benzimidazolyl)carbamate ChemIDplus
R 17,889 ChemIDplus
R 17899 ChemIDplus
Manual Xrefs Databases
1186 DrugCentral
D04200 KEGG DRUG
DE2029637 Patent
Flubendazole Wikipedia
LSM-5916 LINCS
US3657267 Patent
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Registry Numbers Types Sources
31430-15-6 CAS Registry Number ChemIDplus
763480 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017