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Substance Name: Acetylcholine bromide
RN: 66-23-9
UNII: C12HG588IF
InChIKey: ZEHGKSPCAMLJDC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H16-N-O2.Br

Molecular Weight

  • 226.112
 
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Names and Synonyms

Name of Substance

  • Acetylcholine bromide

Synonyms

  • 2-(Acetyloxy)-N,N,N-trimethylethanaminium bromide
  • Acetoxyethyl-trimethylammonium bromide
  • Acetylcholine bromhydrate
  • Acetylcholine bromide
  • Acetylcholine hydrobromide
  • AI3-10598
  • Bromoacetylcholine
  • Choline, acetyl-, bromide
  • EINECS 200-622-4
  • N,N,N-Trimethyl-2-acetoxyethylammonium bromide
  • NSC 4678
  • Pragmoline
  • Tonocholin B
  • Trimethyl(2-acetoxyethyl)ammonium bromide
  • UNII-C12HG588IF

Systematic Names

  • (2-Acetoxyethyl)trimethylammonium bromide
  • Choline acetate (ester), bromide
  • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, bromide
  • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, bromide (1:1)

Registry Numbers

CAS Registry Number

  • 66-23-9

FDA UNII

  • C12HG588IF

Related Registry Number

  • 51-84-3 (Parent)

System Generated Number

  • 0000066239

Molecular Formulas

Molecular Formula

  • C7-H16-N-O2.Br

Molecular Formula Fragments

  • Br
  • C7-H16-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1

InChIKey

ZEHGKSPCAMLJDC-UHFFFAOYSA-M

Smiles

[BrH-].CC(OCC[N+](C)(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 170mg/kg (170mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 62, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 146 deg C   EXP
log P (octanol-water) -3.61E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 2.51E-07 mm Hg 25 EST
Henry's Law Constant 1.05E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.64E-11 cm3/molecule-sec 25 EST

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