Basic information
- CAS
22189-31-7- Standard SMILES
CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.Cl.Cl.O.O- InChIKey
MEUAAEMCZUPORO-LRSHZYOCSA-N- Molecular formula
- C23H35Cl2N3O4S2
- Average molar mass
- 552.6 g/mol
- Monoisotopic mass
- 551.1446043
Overview
Thiothixene Hydrochloride is the hydrochloride salt form of thiothixene, a thioxanthene derivative and a dopamine antagonist with antipsychotic property. Thiothixene blocks postsynaptic dopamine receptors in the mesolimbic system and medullary chemoreceptor trigger zone, thereby decreasing dopamine activity leading to decreased stimulation of the vomiting center and psychotic effects, such as hallucinations and delusions. In addition, this agent blocks the D2 somatodendritic autoreceptor, thereby increasing dopamine turnover. Thiothixene possesses weak affinity for the histamine H1 and alpha-adrenergic receptors.
Names & identifiers
- Preferred name
- Thiothixene dihydrochloride dihydrate
- IUPAC
- (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;dihydrate;dihydrochloride
- English name
- Thiothixene
- Molecular formula
- C23H32ClN3O3S2
- Molecular weight
- 498.1
Names & synonyms
Thiothixene dihydrochloride dihydrate22189-31-7Thiothixene hydrochlorideThiothixene hcl h20B3CRJ1EWJUCP-12,252-1CP-122521(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;dihydrate;dihydrochloride9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, dihydrochloride, dihydrate (Z)-N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide dihydrochloride dihydrateNavane HydrochlorideUNII-B3CRJ1EWJU
Show more names
9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-, hydrochloride, hydrate (1:2:2), (9Z)-
Thiothixene hydrochloride intensolThiothixene Hydrochloride [USAN]N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide dihydrochloride dihydrateThiothixene hydrochloride [USAN:USP]Tiotixene hydrochlorideTiotixene dihydrochloridethioth-ixene hydrochlorideSCHEMBL40977
Properties
Computed structural properties
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 710
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- FDA UNII
- 3 CRJ1EWJU · B3CRJ1EWJU
Chemistry & industry
Applications
UsesNa-vane (Pfizer).
Suppliers2 total
Pharmaffiliates Analytics and Synthetics P. Ltd[email protected]
Shanghai New Union Textra Import & Export Co., Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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