Product Ingredient Aminosalicylate sodiumfor DB00233 (Aminosalicylic Acid)

Name
Aminosalicylate sodium
Drug
DB00233 (Aminosalicylic 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 aminosalicylate / 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
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