Thiothixene hydrochlorideProduct ingredient for Thiothixene

Name
Thiothixene hydrochloride
Drug Entry
Thiothixene

A thioxanthine used as an antipsychotic agent. Its effects are similar to the phenothiazine antipsychotics.

Accession Number
DBSALT001423
Structure
Synonyms
Thiothixene HCl
UNII
B3CRJ1EWJU
CAS Number
22189-31-7
Weight
Average: 552.57
Monoisotopic: 551.1446044
Chemical Formula
C23H35Cl2N3O4S2
InChI Key
MEUAAEMCZUPORO-LRSHZYOCSA-N
InChI
InChI=1S/C23H29N3O2S2.2ClH.2H2O/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26;;;;/h4-5,7-11,17H,6,12-16H2,1-3H3;2*1H;2*1H2/b19-8-;;;;
IUPAC Name
(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulfonamide dihydrate dihydrochloride
SMILES
O.O.Cl.Cl.CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN2CCN(C)CC2)C=C1
ChemSpider
10128554
ChEMBL
CHEMBL3989824
Wikipedia
Tiotixene
Predicted Properties
PropertyValueSource
Water Solubility0.0139 mg/mLALOGPS
logP4.01ALOGPS
logP3.36Chemaxon
logS-4.5ALOGPS
pKa (Strongest Basic)8.16Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area43.86 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity137.85 m3·mol-1Chemaxon
Polarizability50.45 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon