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CHEBI:6704 - mebendazole

ChEBI IDCHEBI:6704
ChEBI Namemebendazole
Stars
DefinitionA carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H13N3O3
Net Charge0
Average Mass295.298
Monoisotopic Mass295.09569
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2n1
InChIInChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyOPXLLQIJSORQAM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
tubulin modulator  Any substance that interacts with tubulin to inhibit or promote polymerisation of microtubules.
microtubule-destabilising agent  Any substance that interacts with tubulin to inhibit polymerisation of microtubules.
Application:
antinematodal drug  A substance used in the treatment or control of nematode infestations.
ChEBI Ontology
Outgoing Relation(s)
mebendazole (CHEBI:6704) has parent hydride 1H-benzimidazole (CHEBI:41275)
mebendazole (CHEBI:6704) has role antinematodal drug (CHEBI:35444)
mebendazole (CHEBI:6704) has role microtubule-destabilising agent (CHEBI:61951)
mebendazole (CHEBI:6704) has role tubulin modulator (CHEBI:60832)
mebendazole (CHEBI:6704) is a aromatic ketone (CHEBI:76224)
mebendazole (CHEBI:6704) is a benzimidazoles (CHEBI:22715)
mebendazole (CHEBI:6704) is a carbamate ester (CHEBI:23003)
IUPAC Name 
methyl (5-benzoyl-1H-benzimidazol-2-yl)carbamate
Synonyms  Source
MebendazoleKEGG COMPOUND
(5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl esterChemIDplus
VermoxChemIDplus
MBDZChemIDplus
Manual XrefsDatabases
D00368KEGG DRUG
MebendazoleWikipedia
DB00643DrugBank
LSM-3749LINCS
1641DrugCentral
Registry NumbersSources
Reaxys:759809Reaxys
CAS:31431-39-7ChemIDplus
Citations