loxapine   

GtoPdb Ligand ID: 205

Synonyms: Adasuve® | CL-62362 | CL-71563 | Loxapac® | Loxitane® | SUM-3170
loxapine is an approved drug (FDA (1975), EMA (2013))
Compound class: Synthetic organic
Comment: Loxapine is a dibenzoxazepine class typical antipsychotic drug.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 28.07
Molecular weight 327.11
XLogP 3.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2
Isomeric SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2
InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
InChI Key XJGVXQDUIWGIRW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1975), EMA (2013))
IUPAC Name
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzoxazepine
International Nonproprietary Names
INN number INN
2610 loxapine
Synonyms
Adasuve® | CL-62362 | CL-71563 | Loxapac® | Loxitane® | SUM-3170
Comments
Loxapine is a dibenzoxazepine class typical antipsychotic drug.
Database Links
BindingDB Ligand 22871
CAS Registry No. 1977-10-2 (source: Scifinder)
ChEBI CHEBI:50841
ChEMBL Ligand CHEMBL831
DrugBank Ligand DB00408
DrugCentral Ligand 1613
GtoPdb PubChem SID 135650533
PubChem CID 3964
Search Google for chemical match using the InChIKey XJGVXQDUIWGIRW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XJGVXQDUIWGIRW
Search PubMed clinical trials loxapine
Search PubMed titles loxapine
Search PubMed titles/abstracts loxapine
Search UniChem for chemical match using the InChIKey XJGVXQDUIWGIRW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XJGVXQDUIWGIRW
Wikipedia Loxapine