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Basic Information
CAS No.: 144-12-7
Name: TIEMONIUM IODIDE
Molecular Structure:
Molecular Structure of 144-12-7 (TIEMONIUM IODIDE)
Formula: C18H24 N O2 S . I
Molecular Weight: 445.365
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;
EINECS: 205-616-5
Melting Point: 189-191°
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.
PSA: 57.70000
LogP: -0.18630
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Chemistry

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 .

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.

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.

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 .