-
Name
TIEMONIUM IODIDE
- EINECS 205-616-5
- CAS No. 144-12-7
- Density
- Solubility
- Melting Point 189-191°
- Formula C18H24 N O2 S . I
- Boiling Point
- Molecular Weight 445.365
- Flash Point
- Transport Information
- Appearance
- Safety Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and I−. See also IODIDES.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Visceralgine;Visceralgina;Morpholinium,4-[3-hydroxy-3-phenyl-3-(2-thienyl)propyl]-4-methyl-, iodide (7CI,8CI,9CI);4-[3-Hydroxy-3-phenyl-3-(2-thienyl)propyl]-4-methylmorpholinium iodide;CERFA114;TE 114;Thiemonium iodide;Tiemonium iodide;Tiemozyl;Visceralgin;
- PSA 57.70000
- LogP -0.18630
4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-morpholinium iodide Chemical Properties
The Molecular Structure of 4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-morpholinium iodide (CAS NO.144-12-7):
Molecular Formula: C18H24INO2S
Molecular Weight:445.358130 g/mol
IUPAC: 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol iodide
Nominal Mass: 445 Da
Average Mass: 445.3581 Da
Monoisotopic Mass: 445.057234 Da
InChI
InChI=1/C18H24NO2S.HI/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1
Smiles
[N+]1(CC[C@@](c2sccc2)(c2ccccc2)O)(CCOCC1)C.[IH-]
The IUPAC of 4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-morpholinium iodide (CAS NO.144-12-7) is 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol iodide .
4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-morpholinium iodide Toxicity Data With Reference
| 1. | orl-rat LD50:2295 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. | ||
| 2. | ipr-rat LD50:240 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. | ||
| 3. | scu-rat LD50:1350 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. | ||
| 4. | ivn-rat LD50:30 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 141 (1963),465. | ||
| 5. | orl-mus LD50:1800 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. | ||
| 6. | ipr-mus LD50:130 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. | ||
| 7. | scu-mus LD50:450 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. | ||
| 8. | ivn-mus LD50:30 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),865. |
4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-morpholinium iodide Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and I−. See also IODIDES.
4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-morpholinium iodide Specification
4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-morpholinium iodide (CAS NO.144-12-7) is also called as Tiemonium iodide ; Tiemonium iodide [INN:BAN:JAN] ; 1-alpha-Thienyl-1-phenyl-3-N-methylmorpholinium 1-propanol iodide ; 114 C.E ; 4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methylmorpholinium iodide ; Cerfa 114 ; EINECS 205-616-5 ; Iodure de alpha-thienyl-1 phenyl-1 N-methyl morpholinium-3 propanol-1 ; Iodure de alpha-thienyl-1 phenyl-1 N-methyl morpholinium-3 propanol-1 [French] ; Iodure de tiemonium ; Iodure de tiemonium [INN-French] ; Ioduro de tiemonio ; Ioduro de tiemonio [INN-Spanish] ; TE 114 ; Tiemonii iodidum ; Tiemonii iodidum [INN-Latin] ; Tiemonio ioduro ; Tiemonio ioduro[DCIT] ; Tiemonium iodide ; Tiemozyl ; UNII-FZ2LZ7U304 ; Visceralgin ; Visceralgine ; Morpholinium, 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-, iodide .
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