{[2-(3-phenoxyphenyl)propanoyl]oxy}calcio 2-(3-phenoxyphenyl)propanoate

• ChemBase编号: 73220
• 分子式: C30H26CaO6
• 平均质量: 522.60184
• 单一同位素质量: 522.13552953
• SMILES: O(c1cccc(c1)C(C)C(=O)O[Ca]OC(=O)C(c1cccc(Oc2ccccc2)c1)C)c1ccccc1
• Canonical SMILES: O=C(C(c1cccc(c1)Oc1ccccc1)C)O[Ca]OC(=O)C(c1cccc(c1)Oc1ccccc1)C
• InChI: InChI=1S/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2
• InChIKey: VHUXSAWXWSTUOD-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: {[2-(3-phenoxyphenyl)propanoyl]oxy}calcio 2-(3-phenoxyphenyl)propanoate
• IUPAC传统名: {[2-(3-phenoxyphenyl)propanoyl]oxy}calcio 2-(3-phenoxyphenyl)propanoate
• 别名: Nalfon; Fenoprofen calcium

登记号

• CAS号: 34597-40-5
• PubChem SID: 162038140
• PubChem CID: 14010989

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 7.0602
• LogD (pH = 7.4): 7.0602
• Log P: 7.0602
• 摩尔折射率: 134.5066 cm^3
• 极化性: 55.7456 Å^3
• 极化表面积: 71.06 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S1823

Research Area: Cancer
Biological Activity:
Fenoprofen calcium is a nonsteroidal, anti-inflammatory antiarthritic agent. Fenoprofen calcium also possesses analgesic and antipyretic activities. Fenoprofen calcium is revealed for relief of mild to moderate pain in adults and for relief of the signs and symptoms of rheumatoid arthritis and osteoarthritis.  In patients with osteoarthritis, the anti-inflammatory and analgesic effects of fenoprofen calcium have been demonstrated by decrease in tenderness as a response to pressure and reduction in night pain, stiffness, swelling, and overall disease activity. These effects have also been demonstrated by attenuation of pain with motion and at rest and increased range of motion in involved joints. [1]References on Fenoprofen calcium[1] Cochrane Database Syst Rev. , 2011 Feb 16, (2):CD007556

参考文献

• Traa MX et al. Cochrane Database Syst Rev. 2011 Feb 16;(2):CD007556. Traa MX et