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About This Item
Linear Formula:
CH3OC10H6CH(CH3)CO2H
CAS Number:
Molecular Weight:
230.26
UNSPSC Code:
12352200
NACRES:
NA.21
PubChem Substance ID:
EC Number:
244-838-7
Beilstein/REAXYS Number:
3591068
MDL number:
Form:
powder
Quality Level
agency
USP/NF, meets USP testing specifications
form
powder
mp
152-154 °C (lit.)
application(s)
pharmaceutical (small molecule)
SMILES string
COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
InChI
1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
InChI key
CMWTZPSULFXXJA-VIFPVBQESA-N
Gene Information
human ... MAPK14(1432), PTGS1(5742), PTGS2(5743)
rat ... Alox5(25290), Ptgs1(24693)
Biochem/physiol Actions
Non-selective cyclooxygenase (COX-1 and COX-2) inhibitor.
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signalword
Warning
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
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Michela Campolo et al.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology, 27(11), 4489-4499 (2013-08-01)
Spinal cord trauma causes loss of motor function that is in part due to the ensuing inflammatory response. Hydrogen sulfide (H2S) is a potent, endogenous anti-inflammatory and neuroprotective substance that has been explored for use in the design of novel
Dong Qing Zhang et al.
Chemosphere, 91(1), 14-21 (2012-12-27)
Scirpus validus was grown hydroponically and exposed to the pharmaceuticals, carbamazepine and naproxen at concentrations of 0.5-2.0 mg L(-1) for an exposure duration of up to 21 d. By the end of experiment, carbamazepine elimination from the nutrient solution reached
Jiayang Li et al.
Journal of the American Chemical Society, 135(2), 542-545 (2012-11-10)
As systemically used therapeutics for treating acute or chronic pains or inflammations, nonsteroidal anti-inflammatory drugs (NSAIDs) also associate with the adverse gastrointestinal and renal effects and cardiovascular risks. Thus, it is beneficial to develop topical gels that selectively inhibit cyclooxygenase-2


