Calcium dobesilateProduct ingredient for Dobesilic acid
- Name
- Calcium dobesilate
- Drug Entry
- Dobesilic acid
- Accession Number
- DBSALT002519
- Structure
Structure for Calcium dobesilate (DBSALT002519)
- Synonyms
- Calcium dobesilate
- UNII
- 5921X1560Q
- CAS Number
- 20123-80-2
- Weight
- Average: 418.4
Monoisotopic: 417.9341298 - Chemical Formula
- C12H10CaO10S2
- InChI Key
- QGNBTYAQAPLTMX-UHFFFAOYSA-L
- InChI
- 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
- IUPAC Name
- calcium bis(2,5-dihydroxybenzene-1-sulfonate)
- SMILES
- [Ca++].OC1=CC(=C(O)C=C1)S([O-])(=O)=O.OC1=CC(=C(O)C=C1)S([O-])(=O)=O
- External Links
- ChemSpider
- 27837
- ChEMBL
- CHEMBL2106191
- Wikipedia
- Calcium_dobesilate
- Predicted Properties
Property Value Source Water Solubility 0.601 mg/mL ALOGPS logP 1.37 ALOGPS logP 1.2 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) -2.8 Chemaxon pKa (Strongest Basic) -6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 97.66 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 39.52 m3·mol-1 Chemaxon Polarizability 15.66 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon