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CHEBI:64050 - N-desmethylclozapine

Default Structure
ChEBI IDCHEBI:64050
ChEBI NameN-desmethylclozapine
Stars
ASCII NameN-desmethylclozapine
DefinitionA dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.
Last Modified29 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H17ClN4
Net Charge0
Average Mass312.804
Monoisotopic Mass312.11417
SMILESClc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2
InChIInChI=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
InChIKeyJNNOSTQEZICQQP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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 δ-opioid receptor.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Applications:
delta-opioid receptor agonist  A compound that exhibits agonist activity at the δ-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 Relation(s)
N-desmethylclozapine (CHEBI:64050) has role metabolite (CHEBI:25212)
N-desmethylclozapine (CHEBI:64050) has role serotonergic antagonist (CHEBI:48279)
N-desmethylclozapine (CHEBI:64050) has role δ-opioid receptor agonist (CHEBI:64054)
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  Source
8-Chloro-11-(1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepineChemIDplus
DemethylclozapineChemIDplus
DesmethylclozapineChemIDplus
N-desmethyl clozapineChEBI
NDMCChEBI
NorclozapineChemIDplus
Manual XrefsDatabases
DesmethylclozapineWikipedia
Registry NumbersSources
Reaxys:762289Reaxys
CAS:6104-71-8ChemIDplus
Citations