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CHEBI:64050 - N-desmethylclozapine

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:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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
NorclozapineChemIDplus
DesmethylclozapineChemIDplus
NDMCChEBI
N-desmethyl clozapineChEBI
Manual XrefsDatabases
DesmethylclozapineWikipedia
Registry NumbersSources
Reaxys:762289Reaxys
CAS:6104-71-8ChemIDplus
Citations