magnesium(2+) ion bis(2-hydroxybenzoate)

• ChemBase ID: 1208
• Molecular Formular: C14H10MgO6
• Molecular Mass: 298.5306
• Monoisotopic Mass: 298.03277974
• SMILES: c1ccc(c(c1)C(=O)[O-])O.c1ccc(c(c1)C(=O)[O-])O.[Mg+2]
• Canonical SMILES: [O-]C(=O)c1ccccc1O.[O-]C(=O)c1ccccc1O.[Mg+2]
• InChI: InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2
• InChIKey: MQHWFIOJQSCFNM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion bis(2-hydroxybenzoate)
• IUPAC Traditional name: magnesium(2+) bis(o-hydroxybenzoate)
• Synonyms: Magnesium salicylate

Database IDs

• PubChem SID: 162103320
• PubChem CID: 54684589

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.7897391
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6725287
• LogD (pH = 7.4): -1.5175761
• Log P: 1.9772635
• Molar Refractivity: 46.1322 cm^3
• Polarizability: 13.208861 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.86
• LOG S: -3.64
• Solubility (Water): 6.86e-02 g/l

DETAILS

DrugBank - DB01397

• Drug Groups: approved
• Description: Magnesium salicylate is a common analgesic and non-steroidal anti-inflammatory drug (NSAID) used to treat mild to moderate muscular pain. It is also used to treat headaches, general back pain, and certain joint pains like arthritis.; ; It is found in a variety of over-the-counter (OTC) medications as an anti-inflammatory, primarily for back-pain relief. Magnesium Salicylate can be an effective OTC alternative to prescription NSAIDs, with both anti-inflamatory and pain-relieving effects.; ; Though the recommended doseage is 1160 mg every six hours, per package directions of the Doan's OTC brand (580 mg magnesium salicylate tetrahydrate, equivalent to 934.4 mg anhydrous magnesium salicylate), effective pain relief is often found with a half dosage, with reduced anti-inflammatory results.
• Indication: Magnesium salicylate is a common analgesic and non-steroidal anti-inflammatory drug (NSAID) used to treat mild to moderate muscular pain
• External Links: Wikipedia