Cas no 1334378-48-1 (Sulfadimethoxine 13C6 (phenyl 13C6))
Sulfadimethoxine 13C6 (phenyl 13C6) Chemical and Physical Properties
Names and Identifiers
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- Sulfadimethoxine-13C6
- Sulfadimethoxine-(phenyl-13C6)
- 4-Amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzene-13C6-sulfonamide
- Sulfadimethoxine 13C6 (phenyl 13C6)
- CS-0129668
- HY-B0337S2
- 1334378-48-1
- Sulfadimethoxine 13C6
- 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
- Sulfadimethoxine-(phenyl-13C6), VETRANAL(TM), analytical standard
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- MDL: MFCD00145341
- Inchi: 1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)/i3+1,4+1,5+1,6+1,8+1,9+1
- InChI Key: ZZORFUFYDOWNEF-CICUYXHZSA-N
- SMILES: S([13C]1[13CH]=[13CH][13C](=[13CH][13CH]=1)N)(NC1C=C(N=C(N=1)OC)OC)(=O)=O
Computed Properties
- Exact Mass: 316.09370513 g/mol
- Monoisotopic Mass: 316.09370513 g/mol
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 420
- 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
- Molecular Weight: 316.29
- XLogP3: 1.6
- Topological Polar Surface Area: 125
Sulfadimethoxine 13C6 (phenyl 13C6) Security Information
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Symbol:
- Signal Word:Warning
- Hazard Statement: H315-H317-H319-H335
- Warning Statement: P261-P280-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38-43
- Safety Instruction: 26-36/37
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Hazardous Material Identification:
Sulfadimethoxine 13C6 (phenyl 13C6) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA01500-10mg |
Sulfadimethoxine-13C6 |
1334378-48-1 | - | 10mg |
¥6918.0 | 2024-07-19 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 35383-10MG |
Sulfadimethoxine-(phenyl-13C6) |
1334378-48-1 | VETRANAL | 10MG |
¥4597.35 | 2022-02-23 | |
| A2B Chem LLC | AE63290-25mg |
SulfadiMethoxine-13C6 |
1334378-48-1 | 25mg |
$771.00 | 2024-04-20 | ||
| A2B Chem LLC | AE63290-50mg |
SulfadiMethoxine-13C6 |
1334378-48-1 | 50mg |
$1282.00 | 2024-04-20 |
Sulfadimethoxine 13C6 (phenyl 13C6) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
Additional information on Sulfadimethoxine 13C6 (phenyl 13C6)
Comprehensive Overview of Sulfadimethoxine 13C6 (phenyl 13C6) (CAS No. 1334378-48-1): Applications and Analytical Significance
Sulfadimethoxine 13C6 (phenyl 13C6), identified by the CAS No. 1334378-48-1, is a stable isotope-labeled analog of the widely used sulfonamide antibiotic, sulfadimethoxine. This compound is specifically engineered with six carbon-13 (13C) atoms incorporated into its phenyl ring, making it an invaluable internal standard in liquid chromatography-mass spectrometry (LC-MS) and high-performance liquid chromatography (HPLC) applications. The isotopic labeling ensures minimal interference with the analyte of interest, thereby enhancing the accuracy and precision of quantitative analyses in complex matrices such as biological fluids, environmental samples, and food products.
The growing demand for isotope-labeled compounds like Sulfadimethoxine 13C6 is driven by advancements in veterinary drug residue analysis and food safety testing. Regulatory agencies worldwide, including the FDA and EFSA, have imposed stringent limits on sulfonamide residues in animal-derived products. Researchers and laboratories increasingly rely on 13C-labeled standards to meet these regulatory requirements, as they provide unmatched reliability in method validation and proficiency testing. This aligns with the broader trend of precision analytics in pharmaceutical and environmental sciences.
One of the most searched topics in this domain is the role of stable isotopes in reducing matrix effects during mass spectrometry. Sulfadimethoxine 13C6 (phenyl 13C6) addresses this challenge by co-eluting with its non-labeled counterpart, thereby compensating for ionization suppression or enhancement caused by sample matrices. This property is particularly critical in multi-residue screening methods, where simultaneous detection of multiple sulfonamides is required. Users frequently inquire about the shelf life and storage conditions of such standards—optimal stability is achieved when stored at -20°C in amber vials to prevent photodegradation.
From an environmental perspective, the detection of antibiotic residues in water systems has emerged as a hot-button issue. Sulfadimethoxine 13C6 serves as a tracer in wastewater epidemiology studies, enabling scientists to track the dissemination of sulfonamides in aquatic environments. This application is pivotal for understanding the ecological impact of pharmaceutical pollutants and developing mitigation strategies. The compound’s utility extends to metabolomics research, where it aids in elucidating the metabolic pathways of sulfadimethoxine in both humans and animals.
The synthesis of Sulfadimethoxine 13C6 (phenyl 13C6) involves sophisticated isotopic enrichment techniques, often employing 13C-labeled precursors in a multi-step organic synthesis process. Analytical chemists prioritize this standard due to its >98% isotopic purity, a benchmark for minimizing quantitative bias. Frequently asked questions revolve around its compatibility with different LC-MS platforms—the answer lies in its universal applicability across triple quadrupole, Q-TOF, and Orbitrap systems, provided method parameters are optimized.
In the context of veterinary medicine, sulfadimethoxine is administered to treat bacterial infections in livestock. However, its misuse can lead to antimicrobial resistance (AMR), a global health concern. The labeled variant, Sulfadimethoxine 13C6, plays a proactive role in AMR surveillance by enabling accurate monitoring of drug levels in animal tissues. This aligns with the One Health initiative, which emphasizes interdisciplinary collaboration to combat resistance.
Looking ahead, the integration of artificial intelligence in analytical method development is set to revolutionize the use of isotope-labeled standards. Machine learning algorithms can predict optimal LC-MS transitions for compounds like Sulfadimethoxine 13C6, reducing method development time. This synergy between wet-lab chemistry and computational tools underscores the compound’s relevance in next-generation analytical workflows.
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