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

• ChemBase ID: 73220
• Molecular Formular: C30H26CaO6
• Molecular Mass: 522.60184
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(3-phenoxyphenyl)propanoyl]oxy}calcio 2-(3-phenoxyphenyl)propanoate
• IUPAC Traditional name: {[2-(3-phenoxyphenyl)propanoyl]oxy}calcio 2-(3-phenoxyphenyl)propanoate
• Synonyms: Nalfon; Fenoprofen calcium

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.0602
• LogD (pH = 7.4): 7.0602
• Log P: 7.0602
• Molar Refractivity: 134.5066 cm^3
• Polarizability: 55.7456 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: -20°C

Product Information

• Salt Data: Free Base

DETAILS

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

REFERENCES

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