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Substance Name: Ammonium, 2-ethoxyethyltrimethyl-, iodide
RN: 16332-51-7
InChIKey: SHCLHGQKJMOYER-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H18-N-O.I

Molecular Weight

  • 259.125
 
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Names and Synonyms

Synonyms

  • (2-Ethoxyethyl)trimethylammonium iodide
  • Choline ethyl ether
  • Ethoxyethyltrimethylammonium iodide
  • O-Ethylcholine iodide

Systematic Names

  • Ammonium, 2-ethoxyethyltrimethyl-, iodide
  • Ethanaminium, 2-ethoxy-N,N,N-trimethyl-, iodide (9CI)

Registry Numbers

CAS Registry Number

  • 16332-51-7

Related Registry Number

  • 4358-14-9 (Parent)

System Generated Number

  • 0016332517

Molecular Formulas

Molecular Formula

  • C7-H18-N-O.I

Molecular Formula Fragments

  • C7-H18-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C7H18NO.HI/c1-5-9-7-6-8(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1

InChIKey

SHCLHGQKJMOYER-UHFFFAOYSA-M

Smiles

[N+](CCOCC)(C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4429ug/kg (4.429mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT
Toxicology and Applied Pharmacology. Vol. 54, Pg. 265, 1980.
mouse LD50 subcutaneous 32300ug/kg (32.3mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 196, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.22E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 2.31E-07 mm Hg 25 EST
Henry's Law Constant 5.43E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.74E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.