N-desmethylclozapine

Ligand id: 333

Name: N-desmethylclozapine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 39.66
Molecular weight 312.11
XLogP 3.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-chloro-6-piperazin-1-yl-5H-benzo[c][1,5]benzodiazepine
Synonyms
desmethylclozapine | N-desmethyl-clozapine | norclozapine
Comments
Major active metabolite of the drug clozapine. Note that alternative representations of this compound depict the double bonds in a different position. These include CHEMBL845.
Database Links
BindingDB Ligand 50122054
CAS Registry No. 6104-71-8 (source: Scifinder)
GtoPdb PubChem SID 135650395
PubChem CID 2820
Search Google for chemical match using the InChIKey HESZUPIXRNZIOI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HESZUPIXRNZIOI
Search UniChem for chemical match using the InChIKey HESZUPIXRNZIOI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HESZUPIXRNZIOI
Wikipedia Desmethylclozapine