thiothixene   

GtoPdb Ligand ID: 212

Synonyms: Navane®
thiothixene is an approved drug (FDA (1967))
Compound class: Synthetic organic
Comment: Thiothixene is a thioxanthene class typical antipsychotic drug acting principally as a 5-HT2A receptor antagonist.
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: thiothixene

2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 77.54
Molecular weight 443.17
XLogP 3.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C
Isomeric SMILES CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C
InChI InChI=1S/C23H29N3O2S2/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/b19-8-
InChI Key GFBKORZTTCHDGY-UWVJOHFNSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1967))
IUPAC Name
(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
International Nonproprietary Names
INN number INN
2114 tiotixene
Synonyms
Navane®
Comments
Thiothixene is a thioxanthene class typical antipsychotic drug acting principally as a 5-HT2A receptor antagonist.
Database Links
CAS Registry No. 3313-26-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1201
DrugBank Ligand DB01623
DrugCentral Ligand 2639
GtoPdb PubChem SID 135651260
PubChem CID 941651
Search Google for chemical match using the InChIKey GFBKORZTTCHDGY-UWVJOHFNSA-N
Search Google for chemicals with the same backbone GFBKORZTTCHDGY
Search PubMed clinical trials tiotixene
Search PubMed titles tiotixene
Search PubMed titles/abstracts tiotixene
Search UniChem for chemical match using the InChIKey GFBKORZTTCHDGY-UWVJOHFNSA-N
Search UniChem for chemicals with the same backbone GFBKORZTTCHDGY
Wikipedia Thiothixene