Cas no 64678-69-9 (Dimetridazole-d3)
Dimetridazole-d3 Chemical and Physical Properties
Names and Identifiers
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- 1H-Imidazole,2-methyl-1-(methyl-d3)-5-nitro- (9CI)
- Dimetridazole-d3
- Dimetridazol-d3
- DIMETRIDAZOLE D3
- Dimetridazole D3 (N-methyl D3)
- 2-methyl-5-nitro-1-(trideuteriomethyl)imidazole
- Dimetridazol-d3, analytical standard
- Dimetridazole D3 100 microg/mL in Acetone
- 2-Methyl-1-(methyl-d3)-5-nitro-1H-imidazole
- 2-Methyl-1-(~2~H_3_)methyl-5-nitro-1H-imidazole
- 1,2-Dimethyl-5-nitroimidazole-d3
- Dimetridazole-d3 (1-methyl-d3)
- 1H-Imidazole, 2-methyl-1-(methyl-d3)-5-nitro- (9CI); Dimetridazole-d3; Dimetridazole D3 (N-methyl D3)
- MS-22825
- 1-(?H?)methyl-2-methyl-5-nitro-1H-imidazole
- HY-B1244S
- DTXSID90583594
- Dimetridazol-D3, Vetranal
- CS-0129524
- F90809
- 64678-69-9
- 1ST5526
-
- MDL： MFCD09265282
- Inchi： 1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3/i2D3
- InChI Key： IBXPYPUJPLLOIN-BMSJAHLVSA-N
- SMILES： [O-][N+](C1=C([H])N=C(C([H])([H])[H])N1C([2H])([2H])[2H])=O
Computed Properties
- Exact Mass: 144.07300
- Monoisotopic Mass: 144.072656712g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 144
- 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: 0.1
- Topological Polar Surface Area: 63.6
Experimental Properties
- Density: 1.39
- Boiling Point: 313.7°C at 760 mmHg
- Flash Point: 143.5°C
- Refractive Index: 1.598
- PSA: 63.64000
- LogP: 1.15990
Dimetridazole-d3 Security Information
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Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36
- RTECS：NI5075000
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Hazardous Material Identification：
- Risk Phrases：R36/37/38
Dimetridazole-d3 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R021737-10mg |
Dimetridazole-d3 |
64678-69-9 | 10mg |
￥1544 | 2023-09-08 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 34196-10MG |
Dimetridazole-d3 |
64678-69-9 | 10mg |
￥2334.39 | 2025-01-11 | ||
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci64244-1mg |
Dimetridazole-d3 |
64678-69-9 | 98% | 1mg |
￥725.00 | 2023-09-09 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci64244-5mg |
Dimetridazole-d3 |
64678-69-9 | 98% | 5mg |
￥2116.00 | 2023-09-09 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci64244-500ug |
Dimetridazole-d3 |
64678-69-9 | 98% | 500ug |
￥377.00 | 2023-09-09 | |
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | B61394-1ml |
Dimetridazole-d3 |
64678-69-9 | ,100μg/ml in methanol | 1ml |
￥1430.00 | 2025-02-19 | |
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | B68014-5mg |
Dimetridazole-d3 |
64678-69-9 | ,CP:99.67%;IE:99.92%atomD | 5mg |
￥1400.00 | 2025-02-19 | |
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | B68014-10mg |
Dimetridazole-d3 |
64678-69-9 | ,CP:99.67%;IE:99.92%atomD | 10mg |
￥2200.00 | 2025-02-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | D43840-10mg |
2-methyl-5-nitro-1-(trideuteriomethyl)imidazole |
64678-69-9 | 10mg |
￥1548.0 | 2023-09-09 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 34196-10MG |
64678-69-9 | 10MG |
￥2802.09 | 2022-09-28 |
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Dimetridazole-d3 Related Literature
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Binyu Zheng,Ningying Song,Huizhen Wu,Jianying Tong,Nabo Sun Anal. Methods 2022 14 2976
Additional information on Dimetridazole-d3
Dimetridazole-d3: A Deuterated Derivative with Enhanced Analytical Applications
Dimetridazole-d3, a deuterated analog of the well-known antifungal agent Dimetridazole, has garnered significant attention in the field of analytical chemistry and pharmaceutical research due to its unique properties. With a CAS number of 64678-69-9, this compound serves as an invaluable tool for method development and quantification in various scientific applications. The introduction of deuterium atoms into the molecular structure not only enhances the compound's stability but also improves its suitability for high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy.
The use of deuterated compounds in analytical chemistry is not novel, but the specific application of Dimetridazole-d3 has opened new avenues for researchers studying fungal infections and antifungal drug metabolism. The substitution of hydrogen with deuterium (D) at specific positions in the molecule results in a compound that exhibits minimal interference in mass spectrometric analyses, making it an ideal internal standard for quantifying parent compounds. This property is particularly crucial in complex biological matrices where overlapping peaks can complicate detection and quantification.
In recent years, advancements in mass spectrometry techniques have enabled the detection and analysis of trace amounts of pharmaceutical compounds with unprecedented precision. The incorporation of Dimetridazole-d3 into these methodologies has led to significant improvements in sensitivity and specificity. For instance, studies have demonstrated its effectiveness in monitoring the pharmacokinetics of antifungal agents in animal models, providing researchers with critical data on drug absorption, distribution, metabolism, and excretion (ADME) profiles.
The pharmaceutical industry has also leveraged the benefits of deuterated analogs like Dimetridazole-d3 to develop new drug candidates with improved pharmacological properties. Deuteration can alter metabolic pathways, leading to enhanced bioavailability and reduced off-target effects. This approach has been particularly successful in the development of next-generation antifungal drugs that are more effective against resistant strains of fungi. Research published in leading journals indicates that deuterated versions of existing drugs can exhibit superior efficacy while maintaining safety profiles comparable to their non-deuterated counterparts.
The chemical synthesis of Dimetridazole-d3 presents unique challenges due to the need for precise deuteration at specific positions. Advanced synthetic techniques, such as transition-metal-catalyzed hydrogenation or isotopic exchange reactions, are employed to achieve high isotopic purity. These methods ensure that the final product meets the stringent requirements for analytical applications. Furthermore, the stability of deuterated compounds under various storage conditions is a critical consideration, as degradation can lead to inaccuracies in experimental results.
The role of Dimetridazole-d3 extends beyond analytical chemistry into environmental science and toxicology research. Its use as a tracer molecule allows scientists to study environmental degradation processes and assess the impact of pollutants on microbial ecosystems. For example, researchers have utilized this compound to investigate the metabolic pathways of fungi in soil samples, providing insights into biodegradation mechanisms and potential applications for bioremediation.
In conclusion, Dimetridazole-d3, with its CAS number 64678-69-9, represents a significant advancement in scientific research across multiple disciplines. Its unique properties make it an indispensable tool for method development, drug metabolism studies, and environmental monitoring. As analytical techniques continue to evolve, the demand for high-purity deuterated compounds like this one is expected to grow, further solidifying its importance in both academic and industrial research settings.
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