Calcium p-aminosalicylate

C14H12CaN2O6CAS 133-15-3344.34 g/mol

Open in Covalent MOL file
H2NO−OOHH2NO−OOHCa2+
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C14H12CaN2O6
Molar mass
344.34 g/mol
Exact mass
344.0321 Da
logP
0.29Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
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
133-15-3
SMILES
Nc1ccc(C([O-])=O)c(O)c1.Nc1ccc(C([O-])=O)c(O)c1.[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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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

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.

4-Aminosalicylic acid65-49-6Free acid Sodium p-aminosalicylate133-10-8Salt Aminosalicylate sodium6018-19-5Salt Aminosalicylate calcium6059-16-1

Similar compounds

4'-Amino-2'-hydroxyacetophenone2476-29-155 % similar Methyl 4-amino-2-hydroxybenzoate4136-97-451 % similar Phenyl 4-aminosalicylate133-11-948 % similar Potassium methoxysalicylate152312-71-548 % similar Sodium salicylate54-21-746 % similar Lithium salicylate552-38-546 % similar Potassium salicylate578-36-946 % similar Sodium 3-hydroxy-2-naphthoate14206-62-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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