Acetylcholine-1,1,2,2-d4 Chloride | CAS 344298-94-8

OVERVIEW
Acetylcholine-1,1,2,2-d₄ Chloride is a stable deuterium-labelled analogue of acetylcholine chloride, an essential neurotransmitter compound responsible for signal transmission across neuromuscular junctions and within the central and peripheral nervous systems. In this isotopically labelled form, four hydrogen atoms in the ethyl chain of acetylcholine are replaced by deuterium atoms, resulting in a +4 Da molecular weight shift without altering the compound’s biological functionality or physicochemical properties.

This deuterated variant is widely used in pharmacological research, neuroscience, and analytical chemistry for the quantification of acetylcholine and its metabolites through mass spectrometry (MS) and nuclear magnetic resonance (NMR) studies. The isotopic label ensures distinct spectral or mass differences that facilitate high-precision analysis while maintaining identical biological behaviour to the native neurotransmitter.

CHEMICAL INFORMATION

• Name: Acetylcholine-1,1,2,2-d₄ Chloride

• Molecular Formula: C₇H₁₄D₄NO₂Cl

• Molecular Weight: 185.68 g/mol

• CAS Number: 344298-94-8

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Quaternary ammonium salt; deuterated neurotransmitter

• Stability: Stable under dry conditions; sensitive to hydrolysis in aqueous solutions

APPLICATIONS   of  Acetylcholine-1,1,2,2-d4 Chloride | CAS 344298-94-8

• Mass Spectrometry (MS) Internal Standard:
  Acetylcholine-1,1,2,2-d₄ Chloride is extensively used as an internal standard in LC-MS/MS assays for the quantitative analysis of acetylcholine in biological fluids and tissue samples. The +4 Da isotopic shift enables accurate differentiation between labelled and unlabelled species, facilitating highly precise quantification even at trace concentrations.

• Neurochemical and Pharmacological Research:
  Employed in neuroscience studies to investigate cholinergic signalling, neurotransmitter release mechanisms, and receptor interactions. Its isotopic label allows detailed tracking of acetylcholine turnover, metabolism, and degradation pathways without altering physiological processes.

• Metabolomic and Neurotransmitter Profiling:
  Utilized as a calibration standard in metabolomics to study neurotransmitter dynamics in brain tissue, synaptic vesicles, and cerebrospinal fluid. It supports the development and validation of analytical methods for neurotransmitter quantification in clinical and research environments.

• Stable Isotope Tracing:
  Deuterium labelling allows for precise tracking of acetylcholine distribution and degradation kinetics in biological systems, supporting pharmacokinetic and pharmacodynamic modelling.

• NMR Spectroscopy Applications:
  The deuterated variant provides enhanced resolution in NMR studies by minimizing proton signal overlap, aiding in the characterization of neurotransmitter interactions and conformational behaviour.

ADVANTAGES  of  Acetylcholine-1,1,2,2-d4 Chloride | CAS 344298-94-8

• High isotopic purity ensures reliable analytical distinction (+4 Da mass shift).

• Chemically and biologically equivalent to acetylcholine chloride, maintaining identical receptor binding and enzymatic degradation characteristics.

• Enhanced quantitative accuracy in LC-MS and GC-MS methods through isotope dilution.

• Reduced spectral noise in NMR analyses due to deuterium substitution.

• Ideal for studying enzymatic hydrolysis (acetylcholinesterase activity) and neurotransmission pathways.

• Highly suitable for use in neurochemical assays, pharmacokinetic research, and quality control.

HANDLING
Acetylcholine-1,1,2,2-d₄ Chloride should be handled with care as it is a hygroscopic and physiologically active compound.

• Avoid direct contact with eyes, skin, or clothing.

• Handle in a dry, well-ventilated area, using gloves and protective eyewear.

• Do not expose to moisture or prolonged air contact.

• Store in airtight containers at 2–8 °C for optimal stability.

• Wash hands thoroughly after handling.

Safety Note: Although deuterated, the compound exhibits similar biological activity to acetylcholine chloride and should therefore be treated with the same safety precautions as a bioactive material.

QUALITY & SPECIFICATION
Each batch of Acetylcholine-1,1,2,2-d₄ Chloride is subjected to rigorous analytical testing to verify isotopic enrichment, purity, and identity. Typical analyses include NMR spectroscopy, high-resolution mass spectrometry (HRMS), and infrared spectroscopy (IR).

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Residual Solvents: Within ICH limits

• Analytical Verification: Confirmed via ¹H NMR, ²H NMR, and MS

• COA Provided: Each lot includes a Certificate of Analysis confirming purity, isotopic composition, and quality compliance.

SUMMARY
Acetylcholine-1,1,2,2-d₄ Chloride (CAS 344298-94-8) is a high-quality deuterium-labelled form of acetylcholine chloride, designed for use in analytical chemistry, neurochemical research, and stable isotope tracing. Its excellent isotopic enrichment, stability, and biological equivalence make it indispensable in LC-MS, GC-MS, and NMR-based assays. As a powerful analytical tool, it supports accurate quantification of acetylcholine in complex biological systems, advancing research into neurotransmission, drug metabolism, and enzymatic regulation.