Aminosalicylate sodium anhydrousProduct ingredient for Aminosalicylic Acid

Name
Aminosalicylate sodium anhydrous
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
DBSALT000354
Structure
Thumb
Synonyms
4-aminosalicylate sodium / Anhydrous sodium aminosalicylate / p-aminosalicylate sodium / p-aminosalicylic acid sodium salt / para-aminosalicylate sodium / Sodium para-aminosalicylate
UNII
T9ZKL3TNQF
CAS Number
133-10-8
Weight
Average: 175.1172
Monoisotopic: 175.024537738
Chemical Formula
C7H6NNaO3
InChI Key
FVVDKUPCWXUVNP-UHFFFAOYSA-M
InChI
InChI=1S/C7H7NO3.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1
IUPAC Name
sodium 5-amino-2-carboxybenzen-1-olate
SMILES
[Na+].NC1=CC([O-])=C(C=C1)C(O)=O
External Links
KEGG Compound
C08055
PubChem Compound
2724368
ChemSpider
20993
ChEBI
2661
ChEMBL
CHEMBL1200966
Wikipedia
4-Aminosalicylic_acid
Predicted Properties
PropertyValueSource
Water Solubility32.4 mg/mLALOGPS
logP0.62ALOGPS
logP0.83ChemAxon
logS-0.73ALOGPS
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
Refractivity50.55 m3·mol-1ChemAxon
Polarizability13.94 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon