Cas no 1334532-26-1 ((3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride)

(3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride structure
1334532-26-1 structure
Product Name:(3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride
CAS No:1334532-26-1
MF:C23H46ClNO4
MW:439.1
CID:1065872
PubChem ID:131872269
Update Time:2025-11-02

(3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Hexadecanoyl-L-carnitine-d3?HCl (N-methyl-d3)
    • Palmitoyl-L-carnitine-d3 Hydrochloride
    • Palmitoyl-L-carnitine-d3Hydrochloride
    • CID 131872269
    • L-Palmitoylcarnitine-d3 (hydrochloride)
    • (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride
    • Palmitoyl-L-carnitine-d3 HCl (N-methyl-d3)
    • Palmitoyl-L-carnitine-d3 (chloride)
    • L-CARNITINE:HCL, O-PALMITOYL (N-METHYL-D3, 98%)
    • O-Palmitoyl-(N-methyl-D3)-L-Carnitine HCl salt
    • Hexadecanoyl-L-carnitine-d3 Hydrochloride
    • CS-0202494
    • F90969
    • Hexadecanoyl-L-carnitine-d3 HCl (N-methyl-d3)
    • L-Palmitoylcarnitine-d3 Chloride
    • HY-113147AS
    • 1334532-26-1
    • [(2R)-3-carboxy-2-hexadecanoyloxypropyl]-dimethyl-(trideuteriomethyl)azanium;chloride
    • MS-27880
    • Inchi: 1S/C23H45NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4;/h21H,5-20H2,1-4H3;1H/t21-;/m1./s1/i2D3;
    • InChI Key: GAMKNLFIHBMGQT-HZBHYVOGSA-N
    • SMILES: [Cl-].O(C(CCCCCCCCCCCCCCC)=O)[C@H](CC(=O)O)C[N+](C)(C)C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 438.3303669g/mol
  • Monoisotopic Mass: 438.3303669g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 20
  • Complexity: 404
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.6

Experimental Properties

  • Solubility: DMF: 20 mg/ml,DMSO: 10 mg/ml,Ethanol: 20 mg/ml

(3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride Security Information

  • Storage Condition:Store at -20°C

(3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride Pricemore >>

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Additional information on (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride

Comprehensive Overview of (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride (CAS No. 1334532-26-1)

The compound (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride (CAS No. 1334532-26-1) is a specialized chemical entity with significant relevance in pharmaceutical and biochemical research. Its unique structure, featuring a trideuteriomethyl group and a hexadecanoyloxy moiety, makes it a valuable tool for isotopic labeling studies and metabolic research. This article delves into its properties, applications, and the latest advancements in its utilization.

One of the most intriguing aspects of (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride is its role in deuterium labeling. Deuterated compounds are increasingly sought after in drug discovery and development, as they offer enhanced metabolic stability and improved pharmacokinetic profiles. Researchers are particularly interested in how this compound can be used to trace metabolic pathways, a topic that has gained traction in recent years due to the rise of precision medicine and personalized therapeutics.

The hexadecanoyloxy component of this compound also opens doors to its application in lipid metabolism studies. With the growing focus on obesity and cardiovascular diseases, understanding the role of lipid derivatives in cellular processes has become a hot topic. This compound’s ability to mimic natural lipid structures makes it a promising candidate for investigating lipid-related disorders and developing targeted therapies.

From a synthetic chemistry perspective, (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride presents an interesting challenge. Its synthesis involves intricate steps, including the incorporation of deuterium atoms and the formation of the azaniumyl salt. Recent advancements in green chemistry have spurred interest in optimizing the synthesis of such compounds to reduce environmental impact, aligning with the global push for sustainable practices in chemical manufacturing.

The pharmaceutical industry has shown keen interest in this compound due to its potential as a prodrug. Prodrugs are biologically inactive compounds that convert into active drugs within the body, offering improved delivery and reduced side effects. The unique structure of (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride could pave the way for novel prodrug designs, particularly for drugs targeting the central nervous system (CNS) or inflammatory conditions.

In the realm of analytical chemistry, this compound is valuable for mass spectrometry and NMR spectroscopy. Its deuterated atoms provide distinct isotopic patterns, facilitating accurate quantification and tracing in complex biological matrices. This is especially relevant in biomarker discovery and toxicology studies, where precise measurement is critical.

Market trends indicate a rising demand for deuterated compounds like (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride. The global deuterated compound market is projected to grow significantly, driven by increasing R&D investments in pharmaceuticals and diagnostics. Companies specializing in isotopic labeling are expanding their portfolios to include such niche compounds, catering to the needs of academic and industrial researchers.

Safety and handling of (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride are also critical considerations. While it is not classified as a hazardous material, proper laboratory protocols must be followed to ensure safe usage. Researchers are advised to consult material safety data sheets (MSDS) and adhere to guidelines for handling deuterated compounds.

In conclusion, (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-hexadecanoyloxybutanoate:hydrochloride (CAS No. 1334532-26-1) is a multifaceted compound with broad applications in drug development, metabolic research, and analytical chemistry. Its unique structural features and isotopic properties make it a valuable asset in modern scientific endeavors. As research continues to evolve, this compound is poised to play a pivotal role in advancing our understanding of complex biological systems and developing next-generation therapeutics.

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