Cas no 1020719-47-4 (3-Hydroxyacetaminophen-d3)
3-Hydroxyacetaminophen-d3 Chemical and Physical Properties
Names and Identifiers
-
- 3-Hydroxyacetaminophen-d3
- 4-(AcetylaMino)catechol-d3
- 4-AcetylaMinopyrocatechol-d3
- N-(3,4-Dihdyroxyphenyl)acetamide-d3
- N-(3,4-DIHYDROXYPHENYL)ACETAMIDE-D3
- N-(3,4-Dihydroxyphenyl)acetamide-2,2,2-d3
- AKOS030243111
- J-000595
- DTXSID60662002
- N-(3,4-Dihydroxyphenyl)(~2~H_3_)acetamide
- 2,2,2-trideuterio-N-(3,4-dihydroxyphenyl)acetamide
- Acetamide-2,2,2-d3, N-(3,4-dihydroxyphenyl)-
- 1020719-47-4
-
- Inchi: 1S/C8H9NO3/c1-5(10)9-6-2-3-7(11)8(12)4-6/h2-4,11-12H,1H3,(H,9,10)/i1D3
- InChI Key: IPFBMHOMTSBTSU-FIBGUPNXSA-N
- SMILES: OC1=C(C=CC(=C1)NC(C([2H])([2H])[2H])=O)O
Computed Properties
- Exact Mass: 170.077073387g/mol
- Monoisotopic Mass: 170.077073387g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- Melting Point: 170-172°C
3-Hydroxyacetaminophen-d3 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | H714752-1mg |
3-Hydroxyacetaminophen-d3 |
1020719-47-4 | 1mg |
$ 150.00 | 2023-09-07 | ||
| TRC | H714752-10mg |
3-Hydroxyacetaminophen-d3 |
1020719-47-4 | 10mg |
$ 1160.00 | 2023-09-07 | ||
| A2B Chem LLC | AA08276-1mg |
Acetamide-2,2,2-d3, N-(3,4-dihydroxyphenyl)- |
1020719-47-4 | 1mg |
$266.00 | 2024-04-20 | ||
| A2B Chem LLC | AA08276-10mg |
Acetamide-2,2,2-d3, N-(3,4-dihydroxyphenyl)- |
1020719-47-4 | 10mg |
$1247.00 | 2024-04-20 |
3-Hydroxyacetaminophen-d3 Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
Additional information on 3-Hydroxyacetaminophen-d3
3-Hydroxyacetaminophen-d3 (CAS No. 1020719-47-4): A Comprehensive Guide to Its Properties and Applications
3-Hydroxyacetaminophen-d3 (CAS No. 1020719-47-4) is a deuterated analog of the well-known metabolite 3-hydroxyacetaminophen. This compound has gained significant attention in recent years due to its unique properties and applications in pharmaceutical research, particularly in drug metabolism and pharmacokinetic (DMPK) studies. As the demand for stable isotope-labeled compounds continues to rise, 3-Hydroxyacetaminophen-d3 has emerged as a valuable tool for researchers.
The deuterium labeling in 3-Hydroxyacetaminophen-d3 makes it an excellent internal standard for mass spectrometry-based quantification of its non-deuterated counterpart. This is particularly relevant in the context of personalized medicine and precision dosing, where accurate measurement of drug metabolites is crucial. Recent studies have highlighted its utility in understanding the metabolic pathways of acetaminophen, which remains one of the most widely used analgesics worldwide.
From a chemical perspective, 3-Hydroxyacetaminophen-d3 shares many properties with its non-deuterated form but offers distinct advantages in analytical applications. The incorporation of deuterium atoms at specific positions (d3 labeling) significantly reduces interference in mass spectrometric analysis while maintaining similar chromatographic behavior. This makes it ideal for use in LC-MS/MS methods that are becoming increasingly important in clinical research and therapeutic drug monitoring.
The synthesis of 3-Hydroxyacetaminophen-d3 typically involves specialized techniques to ensure high isotopic purity and chemical stability. Current research focuses on optimizing synthetic routes to meet the growing demand for this compound in pharmaceutical laboratories. Its stability under various storage conditions and compatibility with common analytical solvents make it particularly valuable for long-term studies.
In the context of current pharmaceutical trends, 3-Hydroxyacetaminophen-d3 plays a crucial role in addressing key challenges in drug development. These include improving the accuracy of metabolite quantification, reducing matrix effects in biological samples, and enhancing the reproducibility of pharmacokinetic studies. As regulatory requirements for drug approval become more stringent, the importance of such isotopically labeled standards continues to grow.
Recent advances in analytical technology have further expanded the applications of 3-Hydroxyacetaminophen-d3. The compound is now being used in cutting-edge research areas such as metabolomics and flux analysis, where understanding metabolic pathways at a systems level is essential. Its use in these fields contributes to our growing understanding of drug metabolism and potential drug-drug interactions.
The market for stable isotope-labeled compounds like 3-Hydroxyacetaminophen-d3 has seen steady growth, driven by increasing investment in pharmaceutical R&D and the expansion of contract research organizations. Quality control remains a critical factor, with researchers demanding high-purity materials that meet rigorous analytical standards. This has led to improvements in production methods and analytical characterization techniques for such specialized compounds.
From a safety perspective, 3-Hydroxyacetaminophen-d3 is handled with standard laboratory precautions appropriate for research chemicals. While not classified as hazardous under normal conditions of use, proper handling procedures should always be followed when working with any chemical substance in a laboratory setting. The compound's stability and well-characterized properties make it suitable for use in regulated environments.
Future research directions for 3-Hydroxyacetaminophen-d3 may include exploring its potential in novel analytical techniques and expanding its applications in clinical research. As mass spectrometry technology continues to advance, the demand for high-quality isotopic standards is expected to increase correspondingly. The compound's role in supporting drug development and safety assessment makes it likely to remain an important tool in pharmaceutical research for years to come.
For researchers considering the use of 3-Hydroxyacetaminophen-d3, several factors should be evaluated, including the required isotopic purity, solubility characteristics for specific applications, and compatibility with analytical methods. The compound's versatility makes it suitable for a wide range of experimental designs, from basic research to clinical studies. Proper method validation remains essential when implementing this standard in analytical workflows.
In summary, 3-Hydroxyacetaminophen-d3 (CAS No. 1020719-47-4) represents an important tool in modern pharmaceutical research, particularly in the fields of drug metabolism and analytical chemistry. Its unique properties as a deuterated standard make it invaluable for accurate quantification and method development. As research techniques continue to evolve, the applications of this specialized compound are likely to expand further, supporting advances in drug development and personalized medicine.
1020719-47-4 (3-Hydroxyacetaminophen-d3) Related Products
- 6470-18-4(1-Acetylamino-7-naphthol)
- 621-42-1(N-(3-hydroxyphenyl)acetamide)
- 5400-20-4(N-(2-Hydroxynaphthalen-5-yl)acetamide)
- 103-90-2(Acetaminophen)
- 60902-28-5(Acetaminophen-d)
- 64315-36-2(Acetaminophen-d)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)