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| CAS No.: | 1553-34-0 |
|---|---|
| Name: | metixene hydrochloride |
| Molecular Structure: | |
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| Formula: | C20H23 N S . Cl H |
| Molecular Weight: | 345.936 |
| Synonyms: | Piperidine,1-methyl-3-(9H-thioxanthen-9-ylmethyl)-, hydrochloride (9CI); Piperidine,1-methyl-3-(thioxanthen-9-ylmethyl)-, hydrochloride (6CI,7CI,8CI);9H-Thioxanthene, piperidine deriv.;1-Methyl-3-(thioxanthen-9-ylmethyl)-1-piperidine hydrochloride;9-(1-Methyl-3-piperidylmethyl)thioxanthene hydrochloride; Methixenehydrochloride; Metixene hydrochloride; NSC 78194; Tremaril hydrochloride |
| Melting Point: | 209-210 °C |
| Boiling Point: | 419.7°C at 760 mmHg |
| Flash Point: | 207.6°C |
| Safety: | Poison by ingestion, intraperitoneal, subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl. |
| PSA: | 28.54000 |
| LogP: | 5.75490 |
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Chemistry
EINECS of Metixene hydrochloride (150-25-4): 216-300-1
Empirical Formula: C20H24ClNS
Molecular Weight: 345.9293
Flash Point: 207.6 °C
Enthalpy of Vaporization: 67.34 kJ/mol
Boiling Point: 419.7 °C at 760 mmHg
Vapour Pressure: 2.99E-07 mmHg at 25 °C
The structure of Metixene hydrochloride (150-25-4):
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IUPAC Name: 1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine hydrochloride
Canonical SMILES: CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24.Cl
InChI: InChI=1S/C20H23NS.ClH/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H
InChIKey: RSXZRFHNNTTWCB-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:1460 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),824. | ||
| 2. | ipr-rat LD50:295 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),824. | ||
| 3. | scu-rat LD50:1519 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),824. | ||
| 4. | ivn-rat LD50:24 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 141 (1963),331. | ||
| 5. | orl-mus LD50:346 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),824. | ||
| 6. | ipr-mus LD50:108 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),824. | ||
| 7. | scu-mus LD50:238 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),824. | ||
| 8. | ivn-mus LD50:18 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,80. |
Safety Profile
Poison by ingestion, intraperitoneal, subcutaneous and intravenous routes. When heated to decomposition Metixene hydrochloride (150-25-4) emits very toxic fumes of NOx, SOx, and HCl.
Specification
Metixene hydrochloride ,its cas register number is 1553-34-0. It also can be called Methixene hydrochloride anhydrous ; and Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-, hydrochloride (9CI) .