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

• ChemBase编号: 1208
• 分子式: C14H10MgO6
• 平均质量: 298.5306
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: magnesium(2+) ion bis(2-hydroxybenzoate)
• IUPAC传统名: magnesium(2+) bis(o-hydroxybenzoate)
• 别名: Magnesium salicylate

登记号

• PubChem SID: 162103320
• PubChem CID: 54684589

理论计算性质

JChem

• Acid pKa: 2.7897391
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.6725287
• LogD (pH = 7.4): -1.5175761
• Log P: 1.9772635
• 摩尔折射率: 46.1322 cm^3
• 极化性: 13.208861 Å^3
• 极化表面积: 60.36 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.86
• LOG S: -3.64
• 溶解度: 6.86e-02 g/l

详细说明

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