clemizole (CHEBI:52140)

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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

Average Mass

325.83500

Monoisotopic Mass

325.13458

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.

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

Synonyms	Sources
1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole	ChemIDplus
Depocural	NIST Chemistry WebBook
Lergopenin	NIST Chemistry WebBook

Last Modified

22 February 2017