Calcium aminosalicylate trihydrateProduct ingredient for Aminosalicylic acid
- Name
- Calcium aminosalicylate trihydrate
- 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
- DBSALT001940
- Structure
Structure for Calcium aminosalicylate trihydrate (DBSALT001940)
- Synonyms
- Benzoic acid, 4-amino-2-hydroxy-, calcium salt (2:1), trihydrate / Calcium 4-aminosalicylate (1:2) trihydrate / Calcium aminosalicylate / Nippas calcium / p-aminosalicylic acid calcium salt trihydrate / Salicylic acid, p-amino-, calcium salt (2:1), trihydrate
- UNII
- 9VF16M7FWU
- CAS Number
- 6059-16-1
- Weight
- Average: 398.381
Monoisotopic: 398.0638211 - Chemical Formula
- C14H18CaN2O9
- InChI Key
- IPLQYSPEGHNJCQ-UHFFFAOYSA-L
- InChI
- InChI=1S/2C7H7NO3.Ca.3H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;/h2*1-3,9H,8H2,(H,10,11);;3*1H2/q;;+2;;;/p-2
- IUPAC Name
- calcium 4-amino-2-hydroxybenzoic acid 4-amino-2-oxidobenzoate trihydrate
- SMILES
- O.O.O.[Ca++].NC1=CC(O)=C(C=C1)C(O)=O.NC1=CC([O-])=C(C=C1)C([O-])=O
- External Links
- ChemSpider
- 32699019
- 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