Thiothixene hydrochloride

Base Information

• Chemical Name: Thiothixene hydrochloride
• CAS No.: 22189-31-7
• Deprecated CAS: 49746-09-0
• Molecular Formula: C23H29 N3 O2 S2 . 2 Cl H . 2 H2 O
• Molecular Weight: 552.5777
• UNII: B3CRJ1EWJU
• DSSTox Substance ID: DTXSID60872487
• Wikidata: Q27274310
• NCI Thesaurus Code: C47753
• ChEMBL ID: CHEMBL3989824
• Mol file: 22189-31-7.mol

Synonyms:Thiothixene dihydrochloride dihydrate;22189-31-7;Thiothixene hydrochloride;Navane Hydrochloride;Thiothixene hcl h20;B3CRJ1EWJU;UNII-B3CRJ1EWJU;Thiothixene hydrochloride intensol;Thiothixene Hydrochloride [USAN];Thiothixene hydrochloride [USAN:USP];CP-12,252-1;CP-122521;9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, dihydrate (Z)-;CP 12252-1;Thiothixene dihydrochloride;(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;dihydrate;dihydrochloride;N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide dihydrochloride dihydrate;9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, dihydrate;9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-, dihydrochloride, dihydrate;N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide dihydrochloride dihydrate;Tiotixene hydrochloride;Tiotixene dihydrochloride;thioth-ixene hydrochloride;Thiothixene hydrochloride (TN);CHEMBL3989824;Thiothixene hydrochloride (USP);DTXSID60872487;C23H29N3O2S2.2ClH.2H2O;TIOTIXENE HYDROCHLORIDE [MART.];THIOTHIXENE HYDROCHLORIDE [VANDF];D02612;THIOTHIXENE HYDROCHLORIDE [ORANGE BOOK];THIOTHIXENE HYDROCHLORIDE [USP IMPURITY];C23-H29-N3-O2-S2.2Cl-H.2H2-O;Q27274310;49746-09-0

Chemical Property of Thiothixene hydrochloride

Chemical Property:

• Vapor Pressure: 2.62E-14mmHg at 25°C
• Boiling Point: 599°C at 760 mmHg
• Flash Point: 316.1°C
• PSA: 96.00000
• LogP: 5.90270
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 551.1446043
• Heavy Atom Count: 34
• Complexity: 711

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.O.O.Cl.Cl
• Isomeric SMILES: CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.O.O.Cl.Cl
• Uses: Na-vane (Pfizer).