Physicochemical Properties
| Molecular Formula | C6H5NO3 |
| Molecular Weight | 139.1088 |
| Exact Mass | 139.026 |
| CAS # | 2398-81-4 |
| PubChem CID | 16976 |
| Appearance | White to off-white solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 469.0±18.0 °C at 760 mmHg |
| Melting Point | 254-255 °C (dec.)(lit.) |
| Flash Point | 237.4±21.2 °C |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.577 |
| LogP | -1.52 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 10 |
| Complexity | 137 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | FJCFFCXMEXZEIM-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C6H5NO3/c8-6(9)5-2-1-3-7(10)4-5/h1-4H,(H,8,9) |
| Chemical Name | 1-oxidopyridin-1-ium-3-carboxylic acid |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Additional Infomation |
Oxiniacic acid is an aromatic carboxylic acid and a member of pyridines. Oxiniacic Acid is a nicotinic acid derivative. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~12.5 mg/mL (~89.86 mM) H2O : ~0.1 mg/mL (~0.72 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.97 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (17.97 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (17.97 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.1886 mL | 35.9428 mL | 71.8856 mL | |
| 5 mM | 1.4377 mL | 7.1886 mL | 14.3771 mL | |
| 10 mM | 0.7189 mL | 3.5943 mL | 7.1886 mL |