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Substance Name: Acetylcholine chloride [USP:INN:BAN:JAN]
RN: 60-31-1
UNII: AF73293C2R
InChIKey: JUGOREOARAHOCO-UHFFFAOYSA-M

Note

  • A neurotransmitter. Acetylcholine in vertebrates is the major transmitter at neuromuscular junctions, autonomic ganglia, parasympathetic effector junctions, a subset of sympathetic effector junctions, and at many sites in the central nervous system. It is generally not used as an administered drug because it is broken down very rapidly by cholinesterases, but it is useful in some ophthalmological applications.

Molecular Formula

  • C7-H16-N-O2.Cl

Molecular Weight

  • 181.6614
 

Classification Codes

  • Cardiac Depressant
  • Cholinergic
  • Drug / Therapeutic Agent
  • Miotic
  • Miotics
  • Vasodilator (Peripheral)
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Names and Synonyms

Name of Substance

  • Acetylcholine chloride [USP:INN:BAN:JAN]
  • Chloroacetylcholine

Synonyms

  • (2-Hydroxyethyl)trimethylammonium chloride acetate
  • 2-(Acetyloxy)-N,N,N-trimethylethanaminium chloride
  • 2-Acetoxyethyltrimethylammonium chloride
  • Acecholin
  • Acecoline
  • Acetilcolina cloruro
  • Acetilcolina cloruro [DCIT]
  • Acetylcholine chloride
  • Acetylcholine chloride for injection
  • Acetylcholine hydrochloride
  • Acetylcholini chloridum
  • Acetylcholini chloridum [INN-Latin]
  • Acetylcholinium chloride
  • ACH chloride
  • AI3-51676
  • Ammonium, (2-hydroxyethyl)trimethyl-, chloride, acetate
  • Arterocoline
  • Azetylcholinchlorid
  • Chlorure d'acetylcholine
  • Chlorure d'acetylcholine [INN-French]
  • Choline acetate (ester) chloride
  • Choline, chloride acetate
  • Cloruro de acetilcolina
  • Cloruro de acetilcolina [INN-Spanish]
  • EINECS 200-468-8
  • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride
  • Miochol
  • Miochol-E
  • O-Acetylcholine chloride
  • Ovisot
  • TL 1505
  • UNII-AF73293C2R

Systematic Names

  • Acetylcholine chloride
  • Choline acetate (ester), chloride
  • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride
  • Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (1:1)

Registry Numbers

CAS Registry Number

  • 60-31-1

FDA UNII

  • AF73293C2R

Other Registry Numbers

  • 1784-29-8
  • 70623-44-8

Related Registry Number

  • 51-84-3 (Parent)

System Generated Number

  • 0000060311

Molecular Formulas

Molecular Formula

  • C7-H16-N-O2.Cl

Molecular Formula Fragments

  • C7-H16-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

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

InChIKey

JUGOREOARAHOCO-UHFFFAOYSA-M

Smiles

[N+](CCOC(=O)C)(C)(C)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 200mg/kg (200mg/kg) CARDIAC: OTHER CHANGES

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: STIFFNESS
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 166, Pg. 437, 1932.
frog LDLo unreported 500mg/kg (500mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 164, Pg. 346, 1932.
guinea pig LD50 intravenous 7700ug/kg (7.7mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 170, Pg. 461, 1967.
mouse LD50 intraperitoneal 15300ug/kg (15.3mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Farmakologiya i Toksikologiya Vol. 20(4), Pg. 32, 1957.
mouse LD50 intravenous 10mg/kg (10mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 541, 1957.
mouse LD50 oral 3gm/kg (3000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 337, 1936.
mouse LD50 subcutaneous 170mg/kg (170mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 337, 1936.
rat LD50 intravenous 22mg/kg (22mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 337, 1936.
rat LD50 oral 2500mg/kg (2500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 337, 1936.
rat LD50 subcutaneous 250mg/kg (250mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 337, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 150 deg C   EXP
log P (octanol-water) -3.450 (none)   EST
Atmospheric OH Rate Constant 1.64E-11 cm3/molecule-sec 25 EST

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