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Triflusal-[13C6]

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General Information
Catalog: BLP-012689
CAS: 1276355-35-1
Molecular Formula: C4[13C]6H7F3O4
Molecular Weight: 254.11

Chemical Structure

Description	Labelled Triflusal. Triflusal irreversibly inhibits the production of thromboxane-B2 in platelets by acetylating cycloxygenase-1.
Synonyms	Triflusal-13C6
IUPAC Name	2-acetyloxy-4-(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS	322-79-2 (unlabelled)
Canonical SMILES	CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O
InChI	InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)/i2+1,3+1,4+1,6+1,7+1,8+1
InChI Key	RMWVZGDJPAKBDE-BOCFXHSMSA-N
Purity	98%; 99% atom 13C
Appearance	Off-white solid