Calcium dobesilate monohydrateProduct ingredient for Dobesilic acid
- Name
- Calcium dobesilate monohydrate
- Drug Entry
- Dobesilic acid
- Accession Number
- DBSALT003025
- Structure
Structure for Calcium dobesilate monohydrate (DBSALT003025)
- Synonyms
- Not Available
- UNII
- M0ROX9374L
- CAS Number
- 117552-78-0
- Weight
- Average: 436.42
Monoisotopic: 435.9446945 - Chemical Formula
- C12H12CaO11S2
- InChI Key
- JMTQBGBMQZPWCS-UHFFFAOYSA-L
- InChI
- InChI=1S/2C6H6O5S.Ca.H2O/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;;/h2*1-3,7-8H,(H,9,10,11);;1H2/q;;+2;/p-2
- IUPAC Name
- calcium bis(2,5-dihydroxybenzene-1-sulfonate) hydrate
- SMILES
- O.[Ca++].OC1=CC(=C(O)C=C1)S([O-])(=O)=O.OC1=CC(=C(O)C=C1)S([O-])(=O)=O
- External Links
- ChemSpider
- 23089505
- 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