N-Desmethylclozapine
3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
Molecular Identity
N-Desmethylclozapine
3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
PubChem CID: 135409468
N-desmethylclozapine is a dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. It has a role as a metabolite, a serotonergic antagonist and a delta-opioid receptor agonist. It is a member of piperazines, an organochlorine compound and a dibenzodiazepine.
2D Structure
Properties
C17H17ClN4
Molecular Formula
312.80
Molecular Weight
g/mol
312.1142
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
39.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
421
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42Isomeric SMILES
SMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42Synonyms(20)
N-DesmethylclozapineNorclozapine6104-71-8DesmethylclozapineNDMC8-chloro-11-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine8-Chloro-11-(1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine1I9001LWY88-Chloro-11-(1-piperazinyl)-5H-dibenzo[b,E][1,4]diazepineDTXSID0042616CHEBI:640508-chloro-11-piperazin-1-yl-5H-dibenzo(B,E)(1,4)diazepine8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]diazepine3-chloro-6-piperazin-1-yl-5H-benzo(c)(1,5)benzodiazepine3-chloro-6-piperazin-1-yl-5H-benzo[c][1,5]benzodiazepine
Data from PubChem (NCBI)
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Trials and conditions connected to N-Desmethylclozapine
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