Physicochemical Properties
| Molecular Formula | C12H10CAO10S2 |
| Molecular Weight | 418.41 |
| Exact Mass | 417.934 |
| CAS # | 20123-80-2 |
| Related CAS # | Dobesilate-d6 calcium |
| PubChem CID | 29963 |
| Appearance | White to off-white solid powder |
| LogP | 2.165 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 25 |
| Complexity | 228 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=S(C1=CC(O)=CC=C1O)([O-])=O.O=S(C2=CC(O)=CC=C2O)([O-])=O.[Ca+2] |
| InChi Key | QGNBTYAQAPLTMX-UHFFFAOYSA-L |
| InChi Code | InChI=1S/2C6H6O5S.Ca/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;/h2*1-3,7-8H,(H,9,10,11);/q;;+2/p-2 |
| Chemical Name | calcium;2,5-dihydroxybenzenesulfonate |
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 | A drug used to reduce hemorrhage in diabetic retinopathy. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~150 mg/mL (~358.50 mM) H2O : ≥ 100 mg/mL (~239.00 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.98 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 (5.98 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 (5.98 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 | 2.3900 mL | 11.9500 mL | 23.9000 mL | |
| 5 mM | 0.4780 mL | 2.3900 mL | 4.7800 mL | |
| 10 mM | 0.2390 mL | 1.1950 mL | 2.3900 mL |