|
Catalog ID
|
Bio-0772 | |||||||||||||||
|
Molecule name
|
|
|||||||||||||||
|
Other names
|
|
|||||||||||||||
|
Iupac name
|
|
|||||||||||||||
|
CAS Registry Number
|
|
|||||||||||||||
|
Structure
|
|
|||||||||||||||
|
Molecular Formula
|
|
|||||||||||||||
|
Molecular Weight
|
|
|||||||||||||||
|
SMILES
|
OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C | |||||||||||||||
|
Rotatable Bonds
|
|
|||||||||||||||
|
H Bond Donors
|
|
|||||||||||||||
|
H Bond Acceptors
|
|
|||||||||||||||
|
Rings
|
|
|||||||||||||||
|
logP
|
|
|||||||||||||||
|
PSA
|
37.3 | |||||||||||||||
|
Biological use
|
Non-steroidal anti-inflammatory drugs (NSAIDs) used to treat the inflammation and pain of arthritis. Analgesic; Antipyretic; Mydriatic used in ocular surgery. | |||||||||||||||
|
Mechanism
|
Carbonic Anhydrase Inhibitor; Cyclooxygenase Inhibitor; Prostaglandin antagonist; | |||||||||||||||
|
References
|
U.S. Pat., 1973, 3 755 427; CA, 79, 104952j, (synth, pharmacol) Adams, S.S. et al., Arzneim.-Forsch., 1975, 25, 1786, (pharmacol) Brogden, R.N. et al., Drugs, 1979, 18, 417, (rev, pharmacol) Maitre, J.M. et al., J. Chromatogr., 1984, 299, 397, (hplc) Dai, G. et al., CA, 1985, 102, 220521, (synth) Kulmacz, R.J. et al., J. Biol. Chem., 1985, 260, 12572, (pharmacol) Kantor, T.G., Am. J. Med., 1986, 80, 3, (rev) Kaiser, D.G. et al., Am. J. Med., 1986, 80, 10, (rev) U.S. Pat., 1986, 4 581 463; CA, 105, 78673c, (synth, isomer) Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 3469, (synonyms) Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 16 Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, FLG100 | |||||||||||||||
|
InChI
|
InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18) | |||||||||||||||
|
InChIKey
|
SYTBZMRGLBWNTM-UHFFFAOYSA-N | |||||||||||||||
|
Prices
|
|