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About This Item
Empirical Formula (Hill Notation):
C13H18O2
CAS Number:
Molecular Weight:
206.28
UNSPSC Code:
41116107
PubChem Substance ID:
EC Number:
239-784-6
MDL number:
grade
analytical standard
product line
VETRANAL®
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
application(s)
forensics and toxicology
pharmaceutical (small molecule)
format
neat
SMILES string
CC(C)Cc1ccc(cc1)C(C)C(O)=O
InChI
1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChI key
HEFNNWSXXWATRW-UHFFFAOYSA-N
Gene Information
human ... PTGS1(5742), PTGS2(5743)
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Biochem/physiol Actions
Cyclooxygenase (COX) inhibitor that has greater activity against COX-1 than against COX-2.
Legal Information
VETRANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
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