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CAS No.: | 440-17-5 |
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Name: | Trifluoperazine dihydrochloride |
Molecular Structure: | |
Formula: | C21H26Cl2F3N3S |
Molecular Weight: | 480.425 |
Synonyms: | 10H-Phenothiazine,10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-, dihydrochloride(9CI);Phenothiazine,10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-, dihydrochloride(6CI,8CI);2-Trifluoromethyl-10-[3-(1-methyl-4-piperazinyl)propyl]phenothiazinedihydrochloride;2-Trifluoromethyl-10-[3'-(1-methyl-4-piperazinyl)propyl]phenothiazinedihydrochloride;Eskazine;Eskazinyl;Fluoperazine;Jatroneural;Modalina;SKF5019;Stelazine;Terfluzine;Trazine;Trifluoperazine dihydrochloride;Trifluoperazine hydrochloride;Trifluoroperazine dihydrochloride;Trifluoroperazine hydrochloride;Triftazin;Triphthasine;Triphthazine;Triphthazine dihydrochloride;Tryptazine;Tryptazine dihydrochloride; |
EINECS: | 207-123-0 |
Melting Point: | 243 °C (dec.)(lit.) |
Boiling Point: | 506 °C at 760 mmHg |
Flash Point: | 259.8 °C |
Appearance: | Cream fine powder |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 36 |
PSA: | 35.02000 |
LogP: | 6.49040 |
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The Trifluperazine dihydrochloride, with the CAS registry number 440-17-5, is also known as 2-Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine dihydrochloride. It belongs to the product categories of Organics; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS registry number is 207-123-0. This chemical's molecular formula is C21H26Cl2F3N3S and molecular weight is 480.41745. Its IUPAC name is called 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride. This chemical's classification codes are Antipsychotic; Drug / Therapeutic Agent; Human Data; Mutation Data; Reproductive Effect; Sedative-hypnotic. What's more, Trifluperazine dihydrochloride is used for the treatment with paranoid schizophrenia, chronic schizophrenia, mental anxiety, emotional disorders, nausea, vomiting, etc.
Physical properties of Trifluperazine dihydrochloride: (1)ACD/LogP: 5.108; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 4.38; (5)ACD/BCF (pH 5.5): 16.13; (6)ACD/BCF (pH 7.4): 835.19; (7)ACD/KOC (pH 5.5): 51.43; (8)ACD/KOC (pH 7.4): 2663.08; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 259.8 °C; (12)Enthalpy of Vaporization: 77.58 kJ/mol; (13)Boiling Point: 506 °C at 760 mmHg; (14)Vapour Pressure: 2.32E-10 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl.Cl
(2)InChI: InChI=1S/C21H24F3N3S.2ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;2*1H
(3)InChIKey: BXDAOUXDMHXPDI-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
man | TDLo | oral | 1143ug/kg/1D- (1.143mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | British Journal of Clinical Practice. Vol. 28, Pg. 201, 1974. |
monkey | LDLo | oral | > 20mg/kg (20mg/kg) | BEHAVIORAL: REGIDITY BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 122, Pg. 129, 1959. |
mouse | LD50 | intraperitoneal | 133mg/kg (133mg/kg) | Farmakologiya i Toksikologiya Vol. 41, Pg. 680, 1978. | |
mouse | LD50 | intravenous | 82mg/kg (82mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 19, Pg. 87, 1962. | |
mouse | LD50 | oral | 424mg/kg (424mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 866, 1977. | |
rabbit | LD50 | intravenous | 65mg/kg (65mg/kg) | British Journal of Pharmacology and Chemotherapy. Vol. 25, Pg. 158, 1965. | |
rat | LD50 | oral | 543mg/kg (543mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 866, 1977. |