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
- External Links
- ChemSpider
- 10128554
- ChEMBL
- CHEMBL3989824
- Wikipedia
- Tiotixene
- Predicted Properties
Property Value Source Water Solubility 0.0139 mg/mL ALOGPS logP 4.01 ALOGPS logP 3.36 Chemaxon logS -4.5 ALOGPS pKa (Strongest Basic) 8.16 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 43.86 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 137.85 m3·mol-1 Chemaxon Polarizability 50.45 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon