Chemical Component Summary

NameACETYLCHOLINE
Identifiers2-acetyloxyethyl-trimethyl-azanium
FormulaC7 H16 N O2
Molecular Weight146.207
TypeNON-POLYMER
Isomeric SMILESCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
InChIKeyOIPILFWXSMYKGL-UHFFFAOYSA-N

Chemical Details

Formal Charge1
Atom Count26
Chiral Atom Count0
Bond Count25
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03128 
NameAcetylcholine
Groups
  • approved
  • investigational
DescriptionA 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.
Synonyms
  • Acetylcholine
  • O-Acetylcholine
  • Acetylcholine chloride
  • Choline acetate
  • ACh
Brand Names
  • Miochol E Acetylcholine Chloride Oph Soln
  • Miochol-E
  • Miogan Pws 20mg/vial
  • Miochol E
IndicationUsed to obtain miosis of the iris in seconds after delivery of the lens in cataract surgery, in penetrating keratoplasty, iridectomy and other anterior segment surgery where rapid miosis may be required.
Categories
  • Amines
  • Antiglaucoma Preparations and Miotics
  • Biogenic Amines
  • Cardiovascular Agents
  • Cholinergic Agents
ATC-CodeS01EB09
CAS number51-84-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Muscarinic acetylcholine receptor M1MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISF...unknown
Muscarinic acetylcholine receptor M2MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKV...unknown
Muscarinic acetylcholine receptor M3MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFS...unknown
Muscarinic acetylcholine receptor M4MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGN...unknown
Neuronal acetylcholine receptor subunit alpha-7MRCSPGGVWLALAASLLHVSLQGEFQRKLYKELVKNYNPLERPVANDSQP...unknown
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL667
PubChem 187
ChEMBL CHEMBL667
ChEBI CHEBI:15355
CCDC/CSD ACHOLC01, ACTART11, JOKROS, ACCHOB11, GEBMEF, ACHTPB, IXOYIF, UVIYUW