Olanzapine hydrochlorideProduct ingredient for Olanzapine

Name
Olanzapine hydrochloride
Drug Entry
Olanzapine

Olanzapine is a thienobenzodiazepine classified as an atypical or second-generation antipsychotic agent.2 The second-generation antipsychotics were introduced in the 90s and quickly gained traction due to their impressive efficacy, reduced risk for extrapyramidal side effects and reduced susceptibility to drug-drug interactions.5 Olanzapine very closely resembles clozapine and only differs by two additional methyl groups and the absence of a chloride moiety.10 It was discovered by scientists at Eli Lilly and approved to be marketed in the US in 1996.8

Accession Number
DBSALT002315
Structure
Synonyms
Not Available
UNII
0Q8K2L0MC3
CAS Number
783334-36-1
Weight
Average: 348.89
Monoisotopic: 348.1175456
Chemical Formula
C17H21ClN4S
InChI Key
MFURKUWVJOJUHP-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N4S.ClH/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12;/h3-6,11,19H,7-10H2,1-2H3;1H
IUPAC Name
5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),5,8,10,12-hexaene hydrochloride
SMILES
Cl.CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2
ChemSpider
16133829
Predicted Properties
PropertyValueSource
Water Solubility0.0942 mg/mLALOGPS
logP3.61ALOGPS
logP3.39Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)13.17Chemaxon
pKa (Strongest Basic)7.24Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area30.87 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity93.87 m3·mol-1Chemaxon
Polarizability35.38 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon