CHEBI:52140 - clemizole

ChEBI IDCHEBI:52140
ChEBI Nameclemizole
Stars
DefinitionA member of the class of benzimidazoles that is 1H-benzimidazole substituted by a pyrrolidin-1-ylmethyl and a 4-chlorobenzyl groups at positions 2 and 1 respectively.
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H20ClN3
Net Charge0
Average Mass325.843
Monoisotopic Mass325.13458
SMILESClc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
InChIKeyCJXAEXPPLWQRFR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
histamine antagonist  Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
Application:
histamine antagonist  Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
ChEBI Ontology
Outgoing Relation(s)
clemizole (CHEBI:52140) has parent hydride 1H-benzimidazole (CHEBI:41275)
clemizole (CHEBI:52140) has role histamine antagonist (CHEBI:37956)
clemizole (CHEBI:52140) is a benzimidazoles (CHEBI:22715)
clemizole (CHEBI:52140) is a monochlorobenzenes (CHEBI:83403)
clemizole (CHEBI:52140) is a pyrrolidines (CHEBI:38260)
clemizole (CHEBI:52140) is conjugate base of clemizole(1+) (CHEBI:52146)
Incoming Relation(s)
clemizole(1+) (CHEBI:52146) is conjugate acid of clemizole (CHEBI:52140)
IUPAC Name 
1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole
INNs  Source
clemizoleChemIDplus
clemizolChemIDplus
clemizolumChemIDplus
Synonyms  Source
1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazoleChemIDplus
LergopeninNIST Chemistry WebBook
DepocuralNIST Chemistry WebBook
Manual XrefsDatabases
ClemizoleWikipedia
LSM-5225LINCS
672DrugCentral
Registry NumbersSources
Reaxys:323050Reaxys
CAS:442-52-4ChemIDplus
CAS:442-52-4NIST Chemistry WebBook
Citations