Physicochemical Properties
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.17 |
| Exact Mass | 195.053 |
| CAS # | 487-54-7 |
| Related CAS # | Salicyluric acid-13C2,15N;1286521-95-6 |
| PubChem CID | 10253 |
| Appearance | White to off-white solid powder |
| Density | 1.401 g/cm3 |
| Boiling Point | 489.8ºC at 760 mmHg |
| Melting Point | 164-169 °C |
| Flash Point | 250ºC |
| Vapour Pressure | 2.08E-10mmHg at 25°C |
| LogP | 0.597 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 14 |
| Complexity | 229 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | ONJSZLXSECQROL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) |
| Chemical Name | 2-[(2-hydroxybenzoyl)amino]acetic 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 |
Salicyluric acid is an N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl. It has a role as a uremic toxin and a human xenobiotic metabolite. It is a N-acylglycine and a secondary carboxamide. It is functionally related to a glycine. It is a conjugate acid of a salicylurate. Salicyluric acid has been reported in Cunila and Trypanosoma brucei with data available. Salicylurate is a metabolite found in or produced by Saccharomyces cerevisiae. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (512.37 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.81 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 (12.81 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 (12.81 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 | 5.1237 mL | 25.6187 mL | 51.2374 mL | |
| 5 mM | 1.0247 mL | 5.1237 mL | 10.2475 mL | |
| 10 mM | 0.5124 mL | 2.5619 mL | 5.1237 mL |