clozapine

Ligand id: 38

Name: clozapine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 30.87
Molecular weight 326.13
XLogP 3.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1989))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene
International Nonproprietary Names
INN number INN
2612 clozapine
Synonyms
Clorazil® | HF-1854
Comments
Note that PubChem CID 2818 has different double bond structure on the central heptane ring which results in a different InChIKey. Our structure is an exact match for the chemical structure in the INN record for this compound.

The major active metabolite of clozapine is N-desmethylclozapine.
Database Links
BindingDB Ligand 50001884
CAS Registry No. 5786-21-0 (source: DrugBank)
ChEMBL Ligand CHEMBL42
DrugBank Ligand DB00363
GtoPdb PubChem SID 135650115
PubChem CID 2818
Search Google for chemical match using the InChIKey QZUDBNBUXVUHMW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QZUDBNBUXVUHMW
Search PubMed clinical trials clozapine
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Search UniChem for chemical match using the InChIKey QZUDBNBUXVUHMW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QZUDBNBUXVUHMW
Wikipedia Clozapine

Product suppliers

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Tocris
Clozapine
Cat. No. 0444