chempirical

Calcium dobesilate

C6H4CaO5SCAS 20123-80-2228.23 g/mol

Open in Covalent MOL file
O−OHSO−OOCa2+
PhenolSulfonic acid

Properties

Molecular formula
C6H4CaO5S
Molar mass
228.23 g/mol
Exact mass
227.9405 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

Identifiers

CAS number
20123-80-2
SMILES
[O-]c1ccc(O)c(S([O-])(=O)=O)c1.[Ca+2]
InChIKey
MVEKZZYTDBDHRF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O5S.Ca/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);

Weigh it out

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

Similar compounds

Potassium 2,5-dihydroxybenzenesulfonate21799-87-159 % similar Sodium O-phenolsulfonate1300-51-249 % similar 2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt7153-21-149 % similar Sodium 1-naphthol-4-sulfonate6099-57-644 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-343 % similar Pyranine6358-69-643 % similar Tiron (chemical)149-45-140 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook