Loxapine hydrochlorideProduct ingredient for Loxapine

Name
Loxapine hydrochloride
Drug Entry
Loxapine

An antipsychotic agent used in schizophrenia. [PubChem]

Accession Number
DBSALT001429
Structure
Synonyms
Loxapine HCl
UNII
376MYL4MAL
CAS Number
54810-23-0
Weight
Average: 364.27
Monoisotopic: 363.0905176
Chemical Formula
C18H19Cl2N3O
InChI Key
JSXBVMKACNEMKY-UHFFFAOYSA-N
InChI
InChI=1S/C18H18ClN3O.ClH/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;1H
IUPAC Name
13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene hydrochloride
SMILES
Cl.CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2
ChemSpider
64492
ChEMBL
CHEMBL1201060
Wikipedia
Loxapine
Predicted Properties
PropertyValueSource
Water Solubility0.103 mg/mLALOGPS
logP3.18ALOGPS
logP3.46Chemaxon
logS-3.5ALOGPS
pKa (Strongest Basic)7.18Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area28.07 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity95.11 m3·mol-1Chemaxon
Polarizability34.99 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon