Introduction：Basic information about CAS 3313-26-6|(Z)-Thiothixene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (Z)-Thiothixene |
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| CAS Number | 3313-26-6 | Molecular Weight | 443.62500 |
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| Density | 1.269 g/cm3 | Boiling Point | 599ºC at 760 mmHg |
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| Molecular Formula | C23H29N3O2S2 | Melting Point | 114-118ºC |
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| MSDS | / | Flash Point | 316.1ºC |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | cis-Thiothixene N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide |
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| Synonym | More Synonyms |
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(Z)-Thiothixene BiologicalActivity
| Description | (Z)-Thiothixene is an antagonist of serotonergic receptor extracted from patent US 20150141345 A1. |
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| Related Catalog | Signaling Pathways >>GPCR/G Protein >>5-HT ReceptorSignaling Pathways >>Neuronal Signaling >>5-HT ReceptorResearch Areas >>Neurological Disease |
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| Target | serotonergic receptor[1] |
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| In Vitro | (Z)-Thiothixene is capable of promoting cell survival and/or plasticity, and/or inhibiting cell death, especially when a toxic agent is exposed to the cells, including neuronal cells[1]. (Z)-Thiothixene is a Z (cis) isomer of thiothixene, as well as synthetic precursor and degradant[2]. |
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| References | [1]. Illana Gozes, et al. Novel compounds and methods for inhibiting cell death. US 20150141345 A1. [2]. Severin G. Comprehensive high-performance liquid chromatographic methodology for the determination of thiothixene in bulk drug, finished product, and dissolution testing samples. J Pharm Sci. 1987 Mar;76(3):231-4. |
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Chemical & Physical Properties
| Density | 1.269 g/cm3 |
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| Boiling Point | 599ºC at 760 mmHg |
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| Melting Point | 114-118ºC |
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| Molecular Formula | C23H29N3O2S2 |
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| Molecular Weight | 443.62500 |
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| Flash Point | 316.1ºC |
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| Exact Mass | 443.17000 |
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| PSA | 77.54000 |
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| LogP | 4.42730 |
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| Index of Refraction | 1.643 |
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| InChIKey | GFBKORZTTCHDGY-UWVJOHFNSA-N |
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| SMILES | CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XO1420000
- CHEMICAL NAME :
- Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene )-, (Z)-
- CAS REGISTRY NUMBER :
- 3313-26-6
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C23-H29-N3-O2-S2
- MOLECULAR WEIGHT :
- 443.67
- WISWESSER LINE NOTATION :
- T C666 BS IYJ FSWN1&1 IU3- AT6N DNTJ D1 -C
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 55 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSYPAG Psychopharmacologia (Berlin). (Berlin, Ger.) V.1-46, 1959-76. For publisher information, see PSCHDL. Volume(issue)/page/year: 12,142,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,17,1970
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302 |
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| Precautionary Statements | P301 + P312 + P330 |
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| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | R22 |
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| RIDADR | NONH for all modes of transport |
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| RTECS | XO1420000 |
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Synonyms
| Thiothixene |
| MFCD00079574 |
| N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide |
| cis-Thiothixene |
| (Z)-Thiothixene |
