chempirical

Calcium P-aminosalicylate

C7H5CaNO3CAS 133-15-3191.20 g/mol

Open in Covalent MOL file
H2NO−OO−Ca2+
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C7H5CaNO3
Molar mass
191.20 g/mol
Exact mass
190.9895 Da
logP
0.29Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
133-15-3
SMILES
Nc1ccc(C([O-])=O)c([O-])c1.[Ca+2]
InChIKey
RPGYNYKTZJZLNN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3.Ca/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzoic acid, 4-amino-2-hydroxy-, calcium salt (2:1)
  • Salicylic acid, 4-amino-, calcium salt (2:1)
  • Aminacyl
  • p-Aminosalicylic acid calcium salt
  • Paracipan
  • Pasara calcium
  • Pasmicina
  • Calcium aminosalicylate
  • Calcium 4-aminosalicylate
  • Monocalcium p-aminosalicylate
  • Calcipas
  • Ca-PAS
  • Aminosalicylate calcium

Work with Calcium P-aminosalicylate

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

Sodium P-aminosalicylate133-10-853 % similar Potassium P-aminobenzoate138-84-142 % similar Sodium P-aminobenzoate555-06-642 % similar 2,6-Diaminoanthraquinone131-14-642 % similar Bismuth subsalicylate14882-18-941 % similar Rhodamine 11013558-31-139 % similar 2-Aminoanthraquinone117-79-338 % similar 4-Aminophthalic acid5434-21-938 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook