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
Database Links
BindingDB Ligand 50122054
CAS Registry No. 6104-71-8 (source: Scifinder)
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
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.