Calcium dobesilate

C12H10CaO10S2CAS 20123-80-2418.40 g/mol

Open in Covalent MOL file
O−SOOOHHOO−SOOOHHOCa2+
PhenolSulfonic acid

Properties

Molecular formula
C12H10CaO10S2
Molar mass
418.40 g/mol
Exact mass
417.9341 Da
Melting point
above 300 °C (decomposes)
logP
-0.04Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
20123-80-2
SMILES
[O-]S(=O)(=O)c1cc(O)ccc1O.[O-]S(=O)(=O)c1cc(O)ccc1O.[Ca+2]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (2:1)
  • Hydroquinone calcium sulfonate
  • Calcium bis(2,5-dihydroxybenzenesulfonate)
  • Calcium p-dihydroxybenzenesulfonate
  • Doxium
  • Dobesilate calcium
  • 2,5-Dihydroxybenzenesulfonic acid calcium salt
  • Calcium 2,5-dihydroxybenzenesulfonate
  • 205E
  • Dobesilate calcium salt
  • Hydroquinone calcium sulfate
  • Dexium

Work with Calcium dobesilate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Etamsylate2624-44-4Salt Potassium 2,5-dihydroxybenzenesulfonate21799-87-1Salt

Similar compounds

Sodium O-phenolsulfonate1300-51-250 % similar 2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt7153-21-150 % similar 2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)83732-66-547 % similar 2-Naphthol-6,8-disulfonic acid dipotassium salt842-18-245 % similar Sodium 6-hydroxy-2-naphthalenesulfonate135-76-245 % similar Sodium 1-naphthol-4-sulfonate6099-57-645 % similar Sodium 4-hydroxybenzenesulfonate825-90-144 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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