THIOTHIXENE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII B3CRJ1EWJU
EPA CompTox DTXSID60872487
Parent Compound: THIOTHIXENE

Structure

InChI Key MEUAAEMCZUPORO-LRSHZYOCSA-N
Smiles CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.Cl.Cl.O.O
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-;;;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H35Cl2N3O4S2
Molecular Weight 552.59
AlogP 3.47
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 43.86
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST PubMed PubMed PubMed PubMed Wikipedia

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295
Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468

Cross References

Resources Reference
ChEMBL CHEMBL3989824
FDA SRS B3CRJ1EWJU
PubChem 11954259
SureChEMBL SCHEMBL40977
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