Cas no 1015855-87-4 (Ronidazole-d3)
Ronidazole-d3 Chemical and Physical Properties
Names and Identifiers
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- Ronidazole-d3
- 2-(Carbamoyloxymethyl)-1-methyl-d3-5-nitro-imidazole
- Dugro-d3
- MCMN-d3
- Ridzol P-d3
- Ridzol-d3
- Ridzole-d3
- Ronida BT-d3
- [1-(Methyl-d3)-5-nitroiMidazol-2-yl]Methyl CarbaMate
- 1-(Methyl-d3)-2-carbaMoyl- oxyMethyl-5-nitroiMidazole
- DB-260116
- HY-B0565S
- AKOS030243121
- [1-(~2~H_3_)Methyl-5-nitro-1H-imidazol-2-yl]methyl carbamate
- J-000445
- CS-0129447
- 1H-Imidazole-2-methanol, 1-(methyl-d3)-5-nitro-, 2-carbamate
- PQFRTXSWDXZRRS-FIBGUPNXSA-N
- 1015855-87-4
- DTXSID30583598
- [1-(?H?)methyl-5-nitro-1H-imidazol-2-yl]methyl carbamate
- Ronidazole D3
- [5-nitro-1-(trideuteriomethyl)imidazol-2-yl]methyl carbamate
- Ronidazole-d3, VETRANAL(TM), analytical standard
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- MDL: MFCD09265285
- Inchi: 1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)/i1D3
- InChI Key: PQFRTXSWDXZRRS-FIBGUPNXSA-N
- SMILES: O(C(N)=O)CC1=NC=C([N+](=O)[O-])N1C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 203.07300
- Monoisotopic Mass: 203.07338499g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 241
- 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: -0.4
- Topological Polar Surface Area: 116?2
Experimental Properties
- PSA: 116.95000
- LogP: 0.96060
Ronidazole-d3 Security Information
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:2
- RTECS:NI6803000
Ronidazole-d3 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 34217-10MG |
Ronidazole-d3 |
1015855-87-4 | 10mg |
¥3847.29 | 2023-12-10 | ||
| TRC | R640202-5mg |
Ronidazole-d3 |
1015855-87-4 | 5mg |
$ 221.00 | 2023-09-06 | ||
| TRC | R640202-50mg |
Ronidazole-d3 |
1015855-87-4 | 50mg |
$ 1714.00 | 2023-09-06 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | 34217-10MG |
(1-(methyl-d3)-5-nitro-1H-imidazol-2-yl)methyl carbamate |
1015855-87-4 | 10mg |
¥3699.32 | 2023-09-15 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | R640202-5mg |
(1-(methyl-d3)-5-nitro-1H-imidazol-2-yl)methyl carbamate |
1015855-87-4 | 5mg |
¥1680.00 | 2023-09-15 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | R640202-50mg |
(1-(methyl-d3)-5-nitro-1H-imidazol-2-yl)methyl carbamate |
1015855-87-4 | 50mg |
¥13440.00 | 2023-09-15 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | CS-W-00244-5mg |
(1-(methyl-d3)-5-nitro-1H-imidazol-2-yl)methyl carbamate |
1015855-87-4 | 5mg |
¥1200.00 | 2023-09-15 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | CS-W-00244-50mg |
(1-(methyl-d3)-5-nitro-1H-imidazol-2-yl)methyl carbamate |
1015855-87-4 | 50mg |
¥9670.00 | 2023-09-15 | ||
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | B68119-1mg |
Ronidazole-d3 |
1015855-87-4 | ,CP:≥98%;IE:≥98%atomD | 1mg |
¥1120.00 | 2022-09-28 | |
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | B68119-5mg |
Ronidazole-d3 |
1015855-87-4 | ,CP:≥98%;IE:≥98%atomD | 5mg |
¥2200.00 | 2022-09-28 |
Ronidazole-d3 Suppliers
Ronidazole-d3 Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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 Ronidazole-d3
Professional Introduction to Ronidazole-d3 (CAS No. 1015855-87-4)
Ronidazole-d3, a deuterated derivative of the well-known antimicrobial agent Ronidazole, is a compound of significant interest in the field of pharmaceutical research and development. With the CAS number 1015855-87-4, this molecule has garnered attention due to its potential applications in studying the mechanisms of action and metabolic pathways of its parent compound. The deuterium labeling at specific positions enhances its utility in analytical techniques such as mass spectrometry and NMR spectroscopy, providing researchers with a powerful tool for structural elucidation and kinetic studies.
The parent compound, Ronidazole, is a synthetic nitroimidazole antibiotic primarily used in veterinary medicine to treat anaerobic bacterial infections. Its mechanism of action involves the inhibition of DNA synthesis in susceptible bacteria by forming reactive intermediates that alkylate DNA bases. This leads to the disruption of bacterial DNA replication and transcription, ultimately resulting in cell death. The introduction of deuterium atoms in Ronidazole-d3 modifies its physical and chemical properties while retaining its biological activity, making it an ideal candidate for research purposes.
Recent advancements in metabolomics and proteomics have highlighted the importance of stable isotope-labeled compounds in understanding drug metabolism and interactions. Ronidazole-d3, with its deuterated backbone, serves as an excellent internal standard for quantitative analysis. For instance, researchers have utilized this compound to investigate the metabolic pathways of Ronidazole in animal models, providing insights into its detoxification and excretion processes. Such studies are crucial for optimizing dosing regimens and minimizing potential side effects.
In addition to its role in metabolic studies, Ronidazole-d3 has found applications in pharmacokinetic profiling. By incorporating deuterium atoms, researchers can differentiate between endogenous and exogenous compounds in biological samples, facilitating more accurate measurements of drug concentrations. This has been particularly useful in clinical trials where precise quantification of drug levels is essential for assessing efficacy and safety. The use of isotopically labeled drugs also aids in the development of novel analytical methods, enhancing the sensitivity and specificity of diagnostic assays.
The structural integrity of Ronidazole-d3 makes it a valuable tool for computational chemistry studies. Advanced computational techniques, such as molecular dynamics simulations and quantum mechanical calculations, can be employed to model the interactions between this compound and biological targets. These simulations provide detailed insights into the binding affinity and kinetics of drug-receptor interactions, which are critical for designing more effective antimicrobial agents. Furthermore, the deuterated version allows researchers to probe hydrogen bonding networks and conformational dynamics with greater precision.
Current research is also exploring the potential applications of Ronidazole-d3 in antibiotic resistance studies. The ability to track this compound using mass spectrometry enables researchers to monitor changes in bacterial populations exposed to antibiotics over time. This approach has revealed novel mechanisms of resistance development, such as efflux pump upregulation and metabolic bypass pathways. Understanding these mechanisms is essential for combating rising antibiotic resistance rates and developing strategies to overcome them.
The versatility of Ronidazole-d3 extends beyond basic research; it also holds promise for therapeutic applications. For example, studies have suggested that deuterated antibiotics may exhibit improved pharmacokinetic properties compared to their non-deuterated counterparts. This could lead to longer half-lives and reduced dosing frequencies, enhancing patient compliance and treatment outcomes. Additionally, the unique spectral properties of deuterated compounds make them suitable candidates for imaging techniques, potentially enabling non-invasive monitoring of therapeutic responses.
In conclusion, Ronidazole-d3 (CAS No. 1015855-87-4) represents a significant advancement in pharmaceutical research tools. Its deuterated structure provides unparalleled insights into metabolic pathways, pharmacokinetic profiles, and drug-receptor interactions. As our understanding of antibiotic resistance mechanisms evolves, compounds like Ronidazole-d3 will play an increasingly vital role in developing next-generation antimicrobial therapies. The continued exploration of its applications will undoubtedly contribute to breakthroughs in both academic research and clinical practice.
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