N-desmethylclozapine (CHEBI:64050)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	N-desmethylclozapine

ChEBI ID	CHEBI:64050

ChEBI ASCII Name	N-desmethylclozapine

Definition	A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C17H17ClN4

Net Charge

Average Mass

312.79700

Monoisotopic Mass

312.11417

InChI

InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2

InChIKey

JNNOSTQEZICQQP-UHFFFAOYSA-N

SMILES

Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. delta-opioid receptor agonist A compound that exhibits agonist activity at the delta-opioid receptor. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

Application(s):	delta-opioid receptor agonist A compound that exhibits agonist activity at the delta-opioid receptor. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

ChEBI Ontology
Outgoing	N-desmethylclozapine (CHEBI:64050) has role δ-opioid receptor agonist (CHEBI:64054) N-desmethylclozapine (CHEBI:64050) has role metabolite (CHEBI:25212) N-desmethylclozapine (CHEBI:64050) has role serotonergic antagonist (CHEBI:48279) N-desmethylclozapine (CHEBI:64050) is a dibenzodiazepine (CHEBI:64051) N-desmethylclozapine (CHEBI:64050) is a organochlorine compound (CHEBI:36683) N-desmethylclozapine (CHEBI:64050) is a piperazines (CHEBI:26144)

IUPAC Name

8-chloro-11-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine

Synonyms	Sources
8-Chloro-11-(1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine	ChemIDplus
Demethylclozapine	ChemIDplus
Desmethylclozapine	ChemIDplus
N-desmethyl clozapine	ChEBI
NDMC	ChEBI
Norclozapine	ChemIDplus

Last Modified

29 February 2012