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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:
Assay:
≥90% (HPLC)
Form:
powder
Quality Segment
agency
USP/NF, meets USP testing specifications
assay
≥90% (HPLC)
form
powder
color
white to off-white
mp
152-154 °C (lit.)
cation traces
heavy metals: ≤0.002%
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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