Sodium aminosalicylate dihydrateProduct ingredient for Aminosalicylic Acid

Name
Sodium aminosalicylate dihydrate
Drug (Active Moiety)
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
Thumb
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
PropertyValueSource
Water Solubility22.1 mg/mLALOGPS
logP1.1ALOGPS
logP0.83ChemAxon
logS-0.9ALOGPS
pKa (Strongest Acidic)3.68ChemAxon
pKa (Strongest Basic)2.19ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area86.38 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity50.83 m3·mol-1ChemAxon
Polarizability13.84 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon