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Desacetyl Triflusal-[13C6]

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General Information
Catalog: BLP-013027
CAS: 1246817-12-8
Molecular Formula: C2[13C]6H5F3O3
Molecular Weight: 212.07

Chemical Structure

Description	Desacetyl Triflusal-[13C6] is the labelled analogue of Desacetyl Triflusal, which is an active metabolite of Triflusal. Triflusal is a platelet antiaggregant inhibitor.
Synonyms	Desacetyl Triflusal-13C6; 2-Hydroxy-4-(trifluoromethyl)benzoic Acid-13C6; α,α,α-Trifluoro-2,4-cresotic Acid-13C6; 4-(Trifluoromethyl)salicylic Acid-13C6; 4-Trifluoromethyl-2-hydroxybenzoic Acid-13C6
IUPAC Name	2-hydroxy-4-(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS	328-90-5 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O
InChI	InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	XMLFPUBZFSJWCN-IDEBNGHGSA-N
Purity	≥98% by HPLC; 99% atom 13C
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at 2-8°C