Product Ingredient Sodium aminosalicylate dihydratefor DB00233 (Aminosalicylic Acid)

Name
Sodium aminosalicylate dihydrate
Drug
DB00233 (Aminosalicylic 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