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Acetylcholine iodide - 98%, high purity , CAS No.2260-50-6
Basic Description
Synonyms
ACh | [2-(acetyloxy)ethyl]trimethylazanium iodide | EINECS 218-862-3 | Acetylholine iodide | Choline acetate (ester), iodide | 1-[3-[2-(Methylsulfonyl)phenothiazin-10-yl]propyl]isonipecotamide | HMS3885B20 | HY-101086 | AS-57315 | NSC-63844 | Ethanaminium
Specifications & Purity
≥98%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Quaternary ammonium salts
Intermediate Tree Nodes
Cholines
Direct Parent
Acyl cholines
Alternative Parents
Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic iodide salts Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyl choline - Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organooxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-acetyloxyethyl(trimethyl)azanium;iodide
INCHI
InChI=1S/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey
SMBBQHHYSLHDHF-UHFFFAOYSA-M
Smiles
CC(=O)OCC[N+](C)(C)C.[I-]
Isomeric SMILES
CC(=O)OCC[N+](C)(C)C.[I-]
WGK Germany
3
RTECS
KH3300000
PubChem CID
75271
Molecular Weight
273.11
Beilstein
3571339
Reaxy-Rn
3571339
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light Sensitive & Hygroscopic
Melt Point(°C)
162°C
Molecular Weight
273.110 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
273.023 Da
Monoisotopic Mass
273.023 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
115.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Citations of This Product
1.
Wenli Shi, Wenxin Han, Yijing Liao, Jiaqi Wen, Guowen Zhang.
(2024)
Inhibition mechanism of fisetin on acetylcholinesterase and its synergistic effect with galantamine. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
305
(123452).
2.
Wenli Shi, Guowen Zhang, Yijing Liao, Xiaoyun Fei, Deming Gong, Xing Hu.
(2023)
Anti-acetylcholinesterase mechanism of kaempferol and its synergistic effect with galanthamine hydrobromide. Food Bioscience,
56
(103174).
3.
Peng Wenping, Wang Nan, Wang Shunmin, Wang Junzhen, Bian Zixiu.
(2023)
Effects of microwave and exogenous l-phenylalanine treatment on phenolic constituents, antioxidant capacity and enzyme inhibitory activity of Tartary buckwheat sprouts. FOOD SCIENCE AND BIOTECHNOLOGY,
32
(1):
(11-19).
4.
Lisiqi Xie, Xiao Huang, Bin Su.
(2017)
Portable Sensor for the Detection of Choline and Its Derivatives Based on Silica Isoporous Membrane and Gellified Nanointerfaces. ACS Sensors,
2
(6):
(803–809).
5.
Sihua Qian, Hengwei Lin.
(2015)
Colorimetric Sensor Array for Detection and Identification of Organophosphorus and Carbamate Pesticides. ANALYTICAL CHEMISTRY,
87
(10):
(5395–5400).
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5 Citations
C2518337