Cas no 1217055-71-4 (rac 2-Hydroxy Ibuprofen-d6)

Technical Introduction: rac 2-Hydroxy Ibuprofen-d6 rac 2-Hydroxy Ibuprofen-d6 is a deuterated analog of 2-hydroxy ibuprofen, a key metabolite of the nonsteroidal anti-inflammatory drug (NSAID) ibuprofen. The incorporation of six deuterium atoms (d6) enhances its utility as an internal standard in LC-MS/MS and GC-MS analyses, ensuring high precision in pharmacokinetic and metabolic studies. Its structural similarity to the native metabolite minimizes isotopic effects while improving chromatographic resolution and mass spectrometric detection. This compound is particularly valuable for quantitative assays in biomedical research, drug development, and forensic toxicology, where accurate metabolite quantification is critical. Its stability and isotopic purity further support reproducible and reliable analytical results.
rac 2-Hydroxy Ibuprofen-d6 structure
rac 2-Hydroxy Ibuprofen-d6 structure
Product Name:rac 2-Hydroxy Ibuprofen-d6
CAS No:1217055-71-4
MF:C13H12D6O3
MW:228.317
CID:1059235
PubChem ID:57347707
Update Time:2025-11-02

rac 2-Hydroxy Ibuprofen-d6 Chemical and Physical Properties

Names and Identifiers

    • rac 2-Hydroxy Ibuprofen-d6
    • 2-Hydroxy Ibuprofen-d6
    • 2-{4-[2-hydroxy-2-(?H?)methyl(3,3,3-?H?)propyl]phenyl}propanoic acid
    • HY-126121S
    • 1217055-71-4
    • 2-[4-[3,3,3-trideuterio-2-hydroxy-2-(trideuteriomethyl)propyl]phenyl]propanoic acid
    • CS-0202085
    • Inchi: InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)/i2D3,3D3
    • InChI Key: UJHKVYPPCJBOSG-XERRXZQWSA-N
    • SMILES: CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O

Computed Properties

  • Exact Mass: 228.163254908g/mol
  • Monoisotopic Mass: 228.163254908g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 57.5?2

rac 2-Hydroxy Ibuprofen-d6 Pricemore >>

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Additional information on rac 2-Hydroxy Ibuprofen-d6

Comprehensive Guide to rac 2-Hydroxy Ibuprofen-d6 (CAS No. 1217055-71-4): Properties, Applications, and Market Insights

rac 2-Hydroxy Ibuprofen-d6 (CAS No. 1217055-71-4) is a deuterated analog of the well-known nonsteroidal anti-inflammatory drug (NSAID) ibuprofen. This compound has gained significant attention in pharmaceutical research due to its unique isotopic labeling, which enhances its utility in drug metabolism studies, pharmacokinetics, and analytical chemistry. The deuterium-labeled version of 2-hydroxy ibuprofen provides researchers with a powerful tool for tracing metabolic pathways and improving the accuracy of mass spectrometry-based assays.

The growing demand for deuterated compounds like rac 2-Hydroxy Ibuprofen-d6 is driven by advancements in precision medicine and the need for more reliable biomarkers in clinical research. With the rise of personalized healthcare, researchers are increasingly focusing on understanding individual variations in drug metabolism, making compounds such as rac 2-Hydroxy Ibuprofen-d6 invaluable for developing targeted therapies. Additionally, the compound’s stability and isotopic purity make it a preferred choice for quantitative analysis in complex biological matrices.

From a chemical perspective, rac 2-Hydroxy Ibuprofen-d6 features six deuterium atoms strategically placed to maintain the compound’s structural integrity while enabling precise detection in analytical workflows. This modification does not alter the pharmacological activity of the parent molecule but significantly enhances its utility in isotope dilution mass spectrometry (IDMS) and other high-sensitivity techniques. The compound is particularly useful in studying the metabolic fate of ibuprofen, a drug widely used for pain relief and inflammation management.

In the pharmaceutical industry, rac 2-Hydroxy Ibuprofen-d6 is often employed as an internal standard in bioanalytical assays to ensure accurate quantification of ibuprofen and its metabolites in plasma, urine, and other biological samples. Its role in drug development and regulatory compliance cannot be overstated, as regulatory agencies increasingly require robust analytical methods for drug approval. The compound’s compatibility with LC-MS/MS (liquid chromatography-tandem mass spectrometry) further solidifies its position as a critical reagent in modern laboratories.

Market trends indicate a rising interest in deuterated pharmaceuticals, with rac 2-Hydroxy Ibuprofen-d6 being a prime example of this niche yet expanding sector. The global push toward sustainable chemistry and green synthesis has also influenced the production of deuterated compounds, with manufacturers adopting eco-friendly protocols to minimize environmental impact. Researchers and procurement specialists frequently search for high-purity rac 2-Hydroxy Ibuprofen-d6 suppliers, emphasizing the need for reliable sources that adhere to stringent quality standards.

Beyond its analytical applications, rac 2-Hydroxy Ibuprofen-d6 is also explored in mechanistic studies to elucidate the enzymatic pathways involved in ibuprofen metabolism. Understanding these pathways is crucial for predicting drug-drug interactions and optimizing therapeutic outcomes. The compound’s relevance extends to forensic toxicology, where it aids in the accurate detection and quantification of ibuprofen in post-mortem and clinical toxicology cases.

For laboratories and research institutions, sourcing rac 2-Hydroxy Ibuprofen-d6 with guaranteed isotopic enrichment and chemical purity is paramount. Suppliers often provide certificates of analysis (CoA) detailing parameters such as deuterium incorporation, residual solvents, and chromatographic purity. These quality assurances are critical for ensuring reproducible results in sensitive applications like clinical trials and pharmacokinetic modeling.

In summary, rac 2-Hydroxy Ibuprofen-d6 (CAS No. 1217055-71-4) is a versatile and indispensable tool in pharmaceutical and analytical research. Its unique properties cater to the evolving needs of drug discovery, metabolomics, and regulatory science, making it a sought-after compound in both academic and industrial settings. As the demand for deuterated standards continues to grow, rac 2-Hydroxy Ibuprofen-d6 remains at the forefront of innovation in analytical chemistry and beyond.

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