Sodium aminosalicylate dihydrateProduct ingredient for Aminosalicylic acid
- Name
- Sodium aminosalicylate dihydrate
- 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
- DBSALT001938
- Structure
- Synonyms
- Aminosalicylate sodium / Benzoic acid, 4-amino-2-hydroxy-, monosodium salt, dihydrate / Monosodium 4-aminosalicylate dihydrate / p-aminosalicylic acid monosodium salt / p-aminosalicylic acid sodium salt dihydrate / Para-aminosodium salicylate / Sodium 4-aminosalicylate dihydrate / Sodium aminosalicylate
- UNII
- S38B9W6AXW
- CAS Number
- 6018-19-5
- Weight
- Average: 211.149
Monoisotopic: 211.04566671 - Chemical Formula
- C7H10NNaO5
- InChI Key
- GMUQJDAYXZXBOT-UHFFFAOYSA-M
- InChI
- InChI=1S/C7H7NO3.Na.2H2O/c8-4-1-2-5(7(10)11)6(9)3-4;;;/h1-3,9H,8H2,(H,10,11);;2*1H2/q;+1;;/p-1
- IUPAC Name
- sodium 4-amino-2-hydroxybenzoate dihydrate
- SMILES
- O.O.[Na+].NC1=CC(O)=C(C=C1)C([O-])=O
- External Links
- ChemSpider
- 4445547
- ChEMBL
- CHEMBL2096646
- Predicted Properties
Property Value Source Water Solubility 22.1 mg/mL ALOGPS logP 1.1 ALOGPS logP 0.83 Chemaxon logS -0.9 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 2 Chemaxon Polar Surface Area 86.38 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 50.83 m3·mol-1 Chemaxon Polarizability 13.84 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon