THIOTHIXENE HYDROCHLORIDE

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Trade Names:
Synonyms:
Status: Approved (1970)
Entry Type: Small molecule
Molecule Category: Salt
UNII: B3CRJ1EWJU
Parent Compound: THIOTHIXENE

Structure
InChI Key ALDJVABCVUVJGI-SRJUEMFDSA-N
Smile CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.Cl
InChI
InChI=1S/C23H29N3O2S2.ClH/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;1H/b19-8-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H35Cl2N3O4S2
Molecular Weight 552.59
AlogP 3.47
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 43.86
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

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

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL3989824
EPA CompTox DTXSID60872487
FDA SRS B3CRJ1EWJU
PubChem 11954259
SureChEMBL SCHEMBL40977
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