clozapine
3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular Identity
clozapine
3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
PubChem CID: 135398737
Clozapine is a benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. It has a role as a xenobiotic, an adrenergic antagonist, a histamine antagonist, a serotonergic antagonist, a dopaminergic antagonist, a muscarinic antagonist, a second generation antipsychotic, a GABA antagonist, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor and an environmental contaminant. It is a benzodiazepine, an organochlorine compound, a N-arylpiperazine and a N-methylpiperazine.
2D Structure
Properties
C18H19ClN4
Molecular Formula
326.80
Molecular Weight
g/mol
326.1298
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
30.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
446
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
clozapine5786-21-0LeponexClozapinCLOZARILFazacloClorazilClozapinaClozapinumHF-1854Fazaclo ODTHF 18548-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepineVersaclozClozapine (Clozaril)
Data from PubChem (NCBI)
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