Aminosalicylate calciumProduct ingredient for Aminosalicylic acid
- Name
- Aminosalicylate calcium
- Drug Entry
- Aminosalicylic acid
An antitubercular agent often administered in association with isoniazid. The sodium salt of the drug is better tolerated than the free acid.
- Accession Number
- DBSALT001939
- Structure
Structure for Aminosalicylate calcium (DBSALT001939)
- Synonyms
- Anhydrous calcium aminosalicylate / Benzoic acid, 4-amino-2-hydroxy-, calcium salt (2:1) / Calcium 4-aminosalicylate (1:2) / p-aminosalicylic acid calcium salt
- UNII
- 73I4QDW01W
- CAS Number
- 133-15-3
- Weight
- Average: 344.336
Monoisotopic: 344.032127 - Chemical Formula
- C14H12CaN2O6
- InChI Key
- XDWVNCOPMIEDJK-UHFFFAOYSA-L
- InChI
- InChI=1S/2C7H7NO3.Ca/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2
- IUPAC Name
- calcium 4-amino-2-hydroxybenzoic acid 4-amino-2-oxidobenzoate
- SMILES
- [Ca++].NC1=CC(O)=C(C=C1)C(O)=O.NC1=CC([O-])=C(C=C1)C([O-])=O
- External Links
- ChemSpider
- 8103717
- ChEMBL
- CHEMBL2105983
- Predicted Properties
Property Value Source Water Solubility 4.98 mg/mL ALOGPS logP 1.04 ALOGPS logP 0.83 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 3.68 Chemaxon pKa (Strongest Basic) 2.19 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 89.21 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 61.38 m3·mol-1 Chemaxon Polarizability 13.49 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon