Physicochemical Properties
| Molecular Formula | C8H5NO3 |
| Molecular Weight | 163.1302 |
| Exact Mass | 163.026 |
| CAS # | 2037-95-8 |
| PubChem CID | 16258 |
| Appearance | Typically exists as solid at room temperature |
| Density | 1.4±0.1 g/cm3 |
| Melting Point | 228-232ºC(lit.) |
| Index of Refraction | 1.586 |
| LogP | 0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 12 |
| Complexity | 226 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O1C(N([H])C(C2=C([H])C([H])=C([H])C([H])=C12)=O)=O |
| InChi Key | OAYRYNVEFFWSHK-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11) |
| Chemical Name | 1,3-benzoxazine-2,4-dione |
| 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 | Carsalam is a benzoxazine. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~120 mg/mL (~735.61 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (18.39 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 30.0 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 2: ≥ 3 mg/mL (18.39 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 30.0 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 | 6.1301 mL | 30.6504 mL | 61.3008 mL | |
| 5 mM | 1.2260 mL | 6.1301 mL | 12.2602 mL | |
| 10 mM | 0.6130 mL | 3.0650 mL | 6.1301 mL |