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Basic Information
CAS No.: 513-10-0
Name: ECOTHIOPATE IODIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 513-10-0 (ECOTHIOPATE IODIDE)
Formula: C9H23 N O3 P S . I
Molecular Weight: 383.231
Synonyms: (2-Mercaptoethyl)trimethylammoniumiodide, O,O-diethyl phosphorothioate (6CI); (2-Mercaptoethyl)trimethylammoniumiodide, S-ester with O,O-diethyl phosphorothioate (7CI); Ammonium,(2-mercaptoethyl)trimethyl-, iodide, S-ester with O,O-diethyl phosphorothioate(8CI); Ethanaminium, 2-[(diethoxyphosphinyl)thio]-N,N,N-trimethyl-, iodide (9CI);217MI; Diethoxyphosphinylthiocholine iodide; Diethylphosphorylthiocholineiodide; Echothiopate iodide; Echothiophate iodide; Ecostigmini jodidum;Ecothiopate iodide; N-[2-(Diethoxyphosphinylthio)ethyl]trimethylammoniumiodide; Phospholine iodide; S-(2-Dimethylaminoethyl)O,O-diethylphosphorothioate methiodide; S-(Diethyl phosphono)thiocholine iodide
Melting Point: 138° (Tammelin); mp 124-124.5° (Fitch)
Safety: Poison by intraperitoneal, subcutaneous, and ocular routes. When heated to decomposition it emits very toxic fumes of NOx, POx, SOx, NH3, and I−. See also IODIDES and MERCAPTANS.
PSA: 70.64000
LogP: -0.38910
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Chemistry

MF: C9H23INO3PS
MW: 383.227
EINECS: 208-152-1
Melting Point: 124–124.5°C
Atmospheric OH Rate Constant: 7.67E-11 cm3/molecule-sec
IUPAC Name: 2-Diethoxyphosphorylsulfanylethyl(trimethyl)azanium iodide
Solubility of S-(2-(N,N,N-trimethylammonio)ethyl)-O,O-diethylphosphorothiolate iodide (513-10-0): Dissolved in water
Synonyms: Ecothiopate iodide ; 2-(diethoxyphosphinylthio)ethyltrimethylammonium iodide ; Ecothiopate ; Ecostigmine ; Ecothiopate ; Phospholineiodide ; 2-[(Diethoxyphosphinyl)thio]ethanaminium
 Following is the molecular structure of S-(2-(N,N,N-trimethylammonio)ethyl)-O,O-diethylphosphorothiolate iodide (513-10-0):

 

Toxicity Data With Reference

1.    

ipr-mus LD50:140 µg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 6 (1964),269.
2.    

scu-mus LD50:130 µg/kg

     JMCMAR    Journal of Medicinal Chemistry. 19 (1976),810.
3.    

ocu-rbt LD50:250 µg/kg

     AJOPAA    American Journal of Ophthalmology. 53 (1962),512.

Safety Profile

Poison by intraperitoneal, subcutaneous, and ocular routes. When heated to decomposition it emits very toxic fumes of NOx, POx, SOx, NH3, and I−.
Safety Information of S-(2-(N,N,N-trimethylammonio)ethyl)-O,O-diethylphosphorothiolate iodide (513-10-0):
RIDADR: 3249
HazardClass 6.1(a)
PackingGroup: II