Basic information
- CAS
60-31-1- Standard SMILES
CC(=O)OCC[N+](C)(C)C.[Cl-]- InChIKey
JUGOREOARAHOCO-UHFFFAOYSA-M- Molecular formula
- C7H16ClNO2
- Average molar mass
- 181.66 g/mol
- Monoisotopic mass
- 181.0869564
Overview
Acetylcholine chloride is the chloride salt of acetylcholine, and a parasympatomimetic drug. It contains an acetylcholine.
Names & identifiers
- Preferred name
- Acetylcholine Chloride
- IUPAC
- 2-acetyloxyethyl(trimethyl)azanium chloride
- English name
- Acetylcholine chloride
- Molecular formula
- C7H16ClNO2
- Molecular weight
- 181.66
Names & synonyms
ACETYLCHOLINE CHLORIDE60-31-1MiocholChloroacetylcholineOvisotACH chloride2-Acetoxyethyltrimethylammonium chlorideCholine acetate (ester) chlorideMIOCHOL-ECloruro de acetilcolinaChlorure d'acetylcholineEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride
Show more names
ACHtl1505acecholinACECOLINEachchloridearterocolineARTEROCHOLINEAcetylcholine Cl
Acetilcolina cloruro(2-Hydroxyethyl)trimethylammonium chloride acetateAcetylcholini chloridumDTXSID5048978NSC-755845AF73293C2Racetylcholine chloride for injection2-acetyloxy-N,N,N-trimethylethanaminium chloride
Database identifiers
- CAS
60-31-1- PubChem CID
- 6060
- DTXSID
DTXSID5048978- ChEMBL
CHEMBL1184
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
Solubility>27.2 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 146 · 146-150 °C (lit.)
- Density
- 1.1235 · 1.1235 (rough estimate)
- refractive index
- 1.556 · 1.5560 (estimate)
- storage temp.
- room temp
- solubility
- 2 O: · H2O: 0.1 g/mL, clear, colorless
- form
- Crystalline Powder
- color
- White
- biological source
- synthetic
- Water Solubility
- Soluble IN COLD WATER
- Sensitive
- Hygroscopic
- Merck
- 14 · 14,87
- BRN
- 3571875 · 3571875
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 161 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Acetylcholine chloride
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Safety data
- F
- 3-8-10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
ACETYLCHOLINE CHLORIDE
Cholinergic Agonists [MoA]; Cholinergic Receptor Agonist [EPC]
ACETYLCHOLINE CHLORIDE,
Cholinergic Agonists [MoA]; Cholinergic Receptor Agonist [EPC]
MeSH Pharmacological Classification
Drugs used to cause dilation of the blood vessels.
Drugs that bind to and activate cholinergic receptors.
Uses & manufacturing
General Manufacturing InformationEthanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (1:1): ACTIVE
Applications
DescriptionAcetylcholine is a neurotransmitter that binds to nicotinic and muscarinic acetylcholine receptors (AChRs) in the central and peripheral nervous systems. It mediates motor function at the neuromuscular junction but also has functions in the parasympathetic and sympathetic nervous systems. It is involved in learning and memory through actions at nicotinic AChRs in the CNS. The actions of acetylcholine are terminated primarily via the action of acetylcholinesterase, which breaks it down into acetate and choline. Acetylcholine (chloride) mimics the effects of acetylcholine and has been used to determine the function of acetylcholine in various biological processes. Acetylcholine (chloride) inhibits peptide aggregation of p53 mutants in vitro at micromolar concentrations. It increases alveolar fluid clearance in a dose-dependent manner and enhances Na+/K+-ATPase activity, effects which are blocked by atropine , in a mouse model of pulmonary edema.
UsesAcetylcholine Chloride is a cholinergic, antiarrhythmic, miotic, vasodilator (peripheral).
General DescriptionAcetylcholine chloride exerts a powerfulstimulant effect on the parasympathetic nervous system.Attempts have been made to use it as a cholinergic agent,but its duration of action is too short for sustained effects,because of rapid hydrolysis by esterases and lack of specificitywhen administered for systemic effects. It is a cardiacdepressant and an effective vasodilator. Stimulation of thevagus and the parasympathetic nervous system produces atonic action on smooth muscle and induces a flow from thesalivary and lacrimal glands. Its cardiac-depressant effectresults from (a) a negative chronotropic effect that causes adecrease in heart rate and (b) a negative inotropic action onheart muscle that produces a decrease in the force of myocardialcontractions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…