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Substance Name: Acetylcholine
RN: 51-84-3
UNII: N9YNS0M02X
InChIKey: OIPILFWXSMYKGL-UHFFFAOYSA-N

Note

  • A neurotransmitter found at neuromuscular junctions, autonomic ganglia, parasympathetic effector junctions, a subset of sympathetic effector junctions, and at many sites in the central nervous system.

Molecular Formula

  • C7-H16-N-O2

Molecular Weight

  • 146.2084
 

Classification Codes

  • Antiviral (COVID-19)
  • Cardiovascular Agents
  • Cholinergic Agents
  • Cholinergic Agonists
  • Drug / Therapeutic Agent
  • Neurotransmitter Agents
  • Vasodilator Agents

Names and Synonyms

Name of Substance

  • Acetylcholine

MeSH Heading

  • Acetylcholine

Synonyms

  • 2-(Acetyloxy)-N,N,N-trimethylethanaminium
  • 4-04-00-01446 (Beilstein Handbook Reference)
  • Acetyl choline cation
  • Acetyl choline ion
  • Acetylcholine
  • Acetylcholinum
  • ACh
  • BRN 1764436
  • Choline acetate
  • EINECS 200-128-9
  • UNII-N9YNS0M02X

Systematic Names

  • (2-Acetoxyethyl)trimethylammonium
  • Choline acetate (ester)
  • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-
  • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- (9CI)

Registry Numbers

CAS Registry Number

  • 51-84-3

FDA UNII

  • N9YNS0M02X

Related Registry Numbers

  • 2260-50-6 (iodide)
  • 60-31-1 (chloride)
  • 66-23-9 (bromide)
  • 927-86-6 (perchlorate)

System Generated Number

  • 0000051843

Structure Descriptors

InChI

InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1

InChIKey

OIPILFWXSMYKGL-UHFFFAOYSA-N

Smiles

CC(=O)OCC[N+](C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 192, Pg. 88, 1971.
mouse LD50 intravenous 11mg/kg (11mg/kg)   Archiv fuer Toxikologie. Vol. 29, Pg. 39, 1972.
rabbit LD50 intravenous 300ug/kg (0.3mg/kg)   "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 39, 1973.
rat LD50 intraperitoneal 250mg/kg (250mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 171, 1944.
rat LD50 subcutaneous 250mg/kg (250mg/kg)   "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 29, 1973.