CHEBI:52140 - clemizole

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ChEBI Name clemizole
ChEBI ID CHEBI:52140
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H20ClN3
Net Charge 0
Average Mass 325.83500
Monoisotopic Mass 325.135
InChI InChI=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
InChIKey CJXAEXPPLWQRFR-UHFFFAOYSA-N
SMILES Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
Roles Classification
Biological Role(s): 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(s): 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.
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ChEBI Ontology
Outgoing 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 clemizole(1+) (CHEBI:52146) is conjugate acid of clemizole (CHEBI:52140)
IUPAC Name
1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole
INNs Sources
clemizol ChemIDplus
clemizole ChemIDplus
clemizolum ChemIDplus
Synonyms Sources
1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole ChemIDplus
Depocural NIST Chemistry WebBook
Lergopenin NIST Chemistry WebBook
Database Links Databases
672 DrugCentral
Clemizole Wikipedia
LSM-5225 LINCS
View more database links
Registry Numbers Types Sources
323050 Reaxys Registry Number Reaxys
323050 Beilstein Registry Number Beilstein
442-52-4 CAS Registry Number ChemIDplus
442-52-4 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
10759334 PubMed citation Europe PMC
23143674 PubMed citation Europe PMC
Last Modified
22 February 2017