Cas no 1329499-30-0 (Synephrine-13C2,15N Hydrochloride Salt)

Synephrine-13C2,15N Hydrochloride Salt is a stable isotope-labeled analog of synephrine, a naturally occurring alkaloid with sympathomimetic properties. The compound is enriched with two carbon-13 (13C) atoms and one nitrogen-15 (15N) isotope, making it an ideal internal standard for quantitative analysis using mass spectrometry (MS) or nuclear magnetic resonance (NMR) techniques. Its high isotopic purity (>98%) ensures minimal interference in tracer studies, metabolic profiling, or pharmacokinetic research. The hydrochloride salt form enhances solubility in aqueous and organic solvents, facilitating sample preparation. This labeled derivative is particularly valuable for investigating synephrine's metabolism, distribution, and elimination in biological systems with high precision and accuracy.
Synephrine-13C2,15N Hydrochloride Salt structure
1329499-30-0 structure
Product Name:Synephrine-13C2,15N Hydrochloride Salt
CAS No:1329499-30-0
MF:C9H14ClNO2
MW:206.644680500031
CID:1061857
PubChem ID:71752281
Update Time:2025-07-02

Synephrine-13C2,15N Hydrochloride Salt Chemical and Physical Properties

Names and Identifiers

    • Synephrine-13C2,15N Hydrochloride Salt
    • Synephrine-13C2,15N
    • 1329499-30-0
    • 4-[1-hydroxy-2-(methyl(15N)amino)(1,2-13C2)ethyl]phenol;hydrochloride
    • DL-Synephrine-13C2,15N
    • Analeptin-13C2,15N
    • J-006258
    • Inchi: 1S/C9H13NO2.ClH/c1-10-6-9(12)7-2-4-8(11)5-3-7;/h2-5,9-12H,6H2,1H3;1H/i6+1,9+1,10+1;
    • InChI Key: COTCEGYSNTWJQV-GMPMXYEBSA-N
    • SMILES: Cl.O[13CH](C1C=CC(=CC=1)O)[13CH2][15NH]C

Computed Properties

  • Exact Mass: 206.0750509g/mol
  • Monoisotopic Mass: 206.0750509g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 122
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.5?2

Experimental Properties

  • Melting Point: 148-150°C

Synephrine-13C2,15N Hydrochloride Salt Security Information

Synephrine-13C2,15N Hydrochloride Salt Pricemore >>

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Additional information on Synephrine-13C2,15N Hydrochloride Salt

Comprehensive Analysis of Synephrine-13C2,15N Hydrochloride Salt (CAS No. 1329499-30-0): Applications and Research Insights

Synephrine-13C2,15N Hydrochloride Salt (CAS 1329499-30-0) is a stable isotope-labeled derivative of synephrine, a naturally occurring alkaloid found in citrus fruits. This compound has gained significant attention in pharmaceutical research, metabolic studies, and analytical chemistry due to its unique isotopic labeling (13C2 and 15N), which enables precise tracking in complex biological systems. Researchers and manufacturers increasingly seek isotope-labeled compounds like this to improve data accuracy in LC-MS (Liquid Chromatography-Mass Spectrometry) and NMR (Nuclear Magnetic Resonance) analyses.

The growing demand for stable isotope-labeled standards in metabolomics and pharmacokinetics has positioned Synephrine-13C2,15N Hydrochloride Salt as a critical tool. Its applications extend to dietary supplement research, where synephrine is studied for its potential effects on energy metabolism. Recent trends show rising searches for "isotopically labeled synephrine" and "13C2 15N labeled compounds," reflecting the scientific community's focus on traceability and reproducibility in experiments.

From a structural perspective, the hydrochloride salt form enhances the compound's solubility, making it ideal for in vitro and in vivo studies. The incorporation of 13C and 15N isotopes at specific positions allows researchers to differentiate endogenous synephrine from administered doses, addressing key challenges in bioavailability and drug interaction studies. This precision is particularly valuable in sports science, where synephrine’s status as a natural stimulant is under scrutiny.

Quality control of Synephrine-13C2,15N Hydrochloride Salt requires rigorous HPLC or GC-MS validation to ensure isotopic purity (>98%), a frequent topic in analytical chemistry forums. The compound’s stability under varying pH conditions also makes it suitable for longitudinal studies. Notably, searches for "synephrine isotopic purity" and "labeled internal standards for LC-MS" have surged by 40% year-over-year, highlighting its relevance in method development.

Beyond academia, industries leverage this compound for dietary supplement authentication, responding to regulatory demands for product integrity. The FDA and EFSA have emphasized the need for accurate labeling of synephrine-containing products, driving innovation in analytical reference materials. As consumers prioritize clean-label supplements, the role of isotope-labeled synephrine in quality assurance becomes indispensable.

Future research directions may explore Synephrine-13C2,15N Hydrochloride Salt in thermogenesis mechanisms or microbiome interactions, aligning with trends in personalized nutrition. Its compatibility with high-resolution mass spectrometry (HRMS) further expands its utility in multi-omics studies. With increasing publications referencing CAS 1329499-30-0, this compound is poised to remain a cornerstone in precision medicine and nutritional science.

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