Acetylcholine chlorideProduct ingredient for Acetylcholine
- Name
- Acetylcholine chloride
- Drug Entry
- Acetylcholine
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.
- Accession Number
- DBSALT002814
- Structure
Structure for Acetylcholine chloride (DBSALT002814)
- Synonyms
- Acetilcolina cloruro
- UNII
- AF73293C2R
- CAS Number
- 60-31-1
- Weight
- Average: 182.67
Monoisotopic: 182.0942329 - Chemical Formula
- C7H17ClNO2
- InChI Key
- JUGOREOARAHOCO-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;
- IUPAC Name
- [2-(acetyloxy)ethyl]trimethylazanium hydrochloride
- SMILES
- Cl.CC(=O)OCC[N+](C)(C)C
- External Links
- ChemSpider
- 17231687
- Wikipedia
- Acetylcholine
- Predicted Properties
Property Value Source Water Solubility 0.136 mg/mL ALOGPS logP -2.9 ALOGPS logP -4.2 Chemaxon logS -3.1 ALOGPS pKa (Strongest Basic) -7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.3 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 51.35 m3·mol-1 Chemaxon Polarizability 16.69 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon