5-Hydroxy-2-pyrazinecarboxylic acid - CAS 34604-60-9
Catalog: |
BB022205 |
Product Name: |
5-Hydroxy-2-pyrazinecarboxylic acid |
CAS: |
34604-60-9 |
Synonyms: |
6-oxo-1H-pyrazine-3-carboxylic acid |
IUPAC Name: | 6-oxo-1H-pyrazine-3-carboxylic acid |
Description: | A versatile building block for the synthesis of new antituberculous agents. A metabolite of Pyrazinamide. |
Molecular Weight: | 140.10 |
Molecular Formula: | C5H4N2O3 |
Canonical SMILES: | C1=C(N=CC(=O)N1)C(=O)O |
InChI: | InChI=1S/C5H4N2O3/c8-4-2-6-3(1-7-4)5(9)10/h1-2H,(H,7,8)(H,9,10) |
InChI Key: | CGQFCIHUUCMACC-UHFFFAOYSA-N |
Boiling Point: | 608.5 °C at 760 mmHg |
Purity: | > 98 % |
Density: | 1.63 g/cm3 |
MDL: | MFCD00190599 |
LogP: | -0.11960 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
28425350 | 20180401 | Metabolomics approach discriminates toxicity index of pyrazinamide and its metabolic products, pyrazinoic acid and 5-hydroxy pyrazinoic acid | Human & experimental toxicology |
16136307 | 20051001 | Acid-base characterization of 5-hydroxypyrazine-2-carboxylic acid and the role of ionic equilibria in the optimization of some process conditions for its biocatalytic production | Analytical and bioanalytical chemistry |
12116050 | 20020701 | Investigation of the effects of concomitant caffeine administration on the metabolic disposition of pyrazinamide in rats | Biopharmaceutics & drug disposition |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.02219199 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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