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
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 Link Database
Clemizole Wikipedia
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 CiteXplore
23143674 PubMed citation CiteXplore
Last Modified
24 October 2014