Cas no 347841-43-4 (Acetylcholine-d)

Acetylcholine-d (deuterated acetylcholine) is a stable isotopically labeled analog of the neurotransmitter acetylcholine, where hydrogen atoms are replaced with deuterium. This modification enhances its utility in mass spectrometry and NMR-based studies by improving signal resolution and reducing metabolic interference. Acetylcholine-d is particularly valuable in pharmacokinetic and neurochemical research, enabling precise quantification of acetylcholine dynamics in biological systems. Its isotopic purity ensures minimal background interference, making it ideal for tracer studies and metabolic pathway analysis. The compound retains the biological activity of native acetylcholine while offering superior analytical performance, facilitating advanced investigations into cholinergic signaling and related disorders.
Acetylcholine-d structure
Acetylcholine-d structure
Product Name:Acetylcholine-d
CAS No:347841-43-4
MF:C7H16BrNO2
MW:242.210028648376
CID:302695
PubChem ID:90472136
Update Time:2025-06-08

Acetylcholine-d Chemical and Physical Properties

Names and Identifiers

    • Ethan-1,1,2,2-d4-aminium,2-(acetyl-d3-oxy)-N,N,N-tri(methyl-d3)-, bromide (9CI)
    • ACETYLCHOLINE-D16 BROMIDE
    • Acetylcholine-d
    • [1,1,2,2-tetradeuterio-2-(2,2,2-trideuterioacetyl)oxyethyl]-tris(trideuteriomethyl)azanium;bromide
    • 347841-43-4
    • MS-23420
    • A935808
    • {2-[(2,2,2-?H?)acetyloxy](1,1,2,2-?H?)ethyl}tri(?H?)methylazanium bromide
    • HY-B0282AS3
    • Acetylcholine-d16 (bromide)
    • CS-0266822
    • G12945
    • Inchi: 1S/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i1D3,2D3,3D3,4D3,5D2,6D2;
    • InChI Key: ZEHGKSPCAMLJDC-ZHEXTGARSA-M
    • SMILES: [Br-].O(C(C([2H])([2H])[2H])=O)C([2H])([2H])C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 241.13700
  • Monoisotopic Mass: 241.137
  • Isotope Atom Count: 16
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 115
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: No data available
  • PSA: 26.30000
  • LogP: -2.74030
  • Vapor Pressure: No data available

Acetylcholine-d Security Information

Acetylcholine-d Pricemore >>

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