Cas no 1246817-81-1 (Pyrazinamide-15N,d3)
Pyrazinamide-15N,d3 is a stable isotope-labeled form of pyrazinamide, a key antitubercular agent. This compound offers enhanced specificity in tracer studies due to its unique 15N,d3 isotopic labeling. Its isotopic purity and stability facilitate accurate quantification in complex samples, making it ideal for advanced analytical techniques such as mass spectrometry. Pyrazinamide-15N,d3 is a valuable tool for researchers investigating drug metabolism and pharmacokinetics in the context of tuberculosis treatment.
Pyrazinamide-15N,d3 structure
Product Name:Pyrazinamide-15N,d3
CAS No:1246817-81-1
MF:C5H5N3O
MW:127.124594449997
CID:1065238
PubChem ID:46782812
Update Time:2025-10-31
Pyrazinamide-15N,d3 Chemical and Physical Properties
Names and Identifiers
-
- Pyrazinamide-15N,d3
- 3,5,6-trideuteriopyrazine-2-carboxamide
- 2-Pyrazinecarboxamide-15N,d3
- DTXSID80676121
- 3,5,6-trideuteriopyrazine-2-(15N)carboxamide
- 1246817-81-1
- Pyrazine-d3-carboxamide-15N, 98 atom % D, 98 atom % 15N, 98% (CP)
- 1ST000777ND3
- (~2~H_3_)Pyrazine-2-(~15~N)carboxamide
-
- Inchi： 1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)/i1D,2D,3D,6+1
- InChI Key： IPEHBUMCGVEMRF-GTNCALAVSA-N
- SMILES： O=C(C1C([2H])=NC([2H])=C([2H])N=1)[15NH2]
Computed Properties
- Exact Mass: 127.05900
- Monoisotopic Mass: 127.059126923g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 115
- 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: -0.6
- Topological Polar Surface Area: 68.9?2
Experimental Properties
- Melting Point: 184-186°C
- PSA: 69.86000
- LogP: 0.45970
Pyrazinamide-15N,d3 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | P840602-1mg |
Pyrazinamide-15N,d3 |
1246817-81-1 | 1mg |
$ 286.00 | 2023-09-06 | ||
| TRC | P840602-10mg |
Pyrazinamide-15N,d3 |
1246817-81-1 | 10mg |
$ 2176.00 | 2023-09-06 | ||
| A2B Chem LLC | AE38679-1mg |
Pyrazinamide-15N,d3 |
1246817-81-1 | 1mg |
$404.00 | 2024-04-20 | ||
| A2B Chem LLC | AE38679-10mg |
Pyrazinamide-15N,d3 |
1246817-81-1 | 10mg |
$2234.00 | 2024-04-20 |
Pyrazinamide-15N,d3 Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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