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| CAS No.: | 6469-93-8 |
|---|---|
| Name: | Chlorprothixene hydrochloride |
| Molecular Structure: | |
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| Formula: | C18H18ClNS . ClH |
| Molecular Weight: | 352.3212 |
| Synonyms: | 1-Propanamine,3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, hydrochloride, (3Z)-(9CI);1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-,hydrochloride, (Z)-;Thioxanthene-D9,g-propylamine,2-chloro-N,N-dimethyl-, hydrochloride, (Z)- (8CI);9H-Thioxanthene,1-propanamine deriv.;Chlorprothixene hydrochloride;Truxal hydrochloride;cis-Chlorprothixene hydrochloride; |
| EINECS: | 229-289-3 |
| Melting Point: | 221ºC |
| Boiling Point: | 461.8 °C at 760 mmHg |
| Flash Point: | 233.1 °C |
| Solubility: | Freely soluble in water |
| Appearance: | White powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 20/21/22 |
| Safety: | 36 |
| Transport Information: | UN 2811 6 |
| PSA: | 28.54000 |
| LogP: | 5.99000 |
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Specification
Chlorprothixene hydrochloride , with cas registry number of 6469-93-8, has many other names such as 3-(2-Chlorothioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride . Its IUPAC name is (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine hydrochloride . Besides these names, its own systematic name is called 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine hydrochloride . The descriptors about its structure include SMILES: Cl.CN(C)CCC=C1c3ccccc3Sc2ccc(Cl)cc12, and InChI: InChI=1/C18H18ClNS.ClH/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;/h3-4,6-10,12H,5,11H2,1-2H3;1H.
Some of physical properties include: H bond acceptors: 1, H bond donors: 0, Freely Rotating Bonds: 3, Enthalpy of Vaporization: 73.65 kJ/mol, Vapour Pressure: 6.29E-09 mmHg at 25°C. It is harmful by inhalation, in contact with skin and if swallowed. When use it, remember wear suitable protective clothing. And it should be stored at temp. of 2-8°C.
Chlorprothixene hydrochloride has been used as drug which is a kind of Antipsychotics. So a lot of toxicity data has been done such as:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 98mg/kg (98mg/kg) | Cesko-Slovenska Farmacie. Vol. 15, Pg. 526, 1966. | |
| mouse | LD50 | intravenous | 43mg/kg (43mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: EXCITEMENT BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 481, 1963. |
| mouse | LD50 | oral | 242mg/kg (242mg/kg) | BEHAVIORAL: ATAXIA | Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 3166, 1980. |
| mouse | LD50 | subcutaneous | 140mg/kg (140mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 65, 1972. | |
| rat | LD50 | intravenous | 25mg/kg (25mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 65, 1972. | |
| rat | LD50 | oral | 200mg/kg (200mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 65, 1972. |
As a drug, the purity is very important. There has been developed a liquid chromatographic method to control the related substances. The selective is both for (Z) chlorprothixene hydrochloride and its E-isomer with a limit of detection of 0.3 microgram ml-1.