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Niflumic acid-[13C6]

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General Information
Catalog: BLP-011729
CAS: 1325559-33-8
Molecular Formula: C7[13C]6H9F3N2O2
Molecular Weight: 288.17

Chemical Structure

Description	Niflumic acid-[13C6] is the labelled analogue of Niflumic Acid, which is a selective COX-2 inhibitor.
Synonyms	Niflumic acid-13C6; 2-(3-Trifluoromethylphenyl-13C6-amino)-nicotinic acid; 2-[[3-(Trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic Acid-13C6; 2-[3-(Trifluoromethyl)anilino]nicotinic Acid-13C6; Actol-13C6; Donalgin-13C6; Flogovital-13C6; Forenol-13C6; Landruma-13C6; Nifluminic Acid-13C6; Nifluril-13C6; Niflumic acid-(phenyl-13C6)
IUPAC Name	2-[[5-(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]amino]pyridine-3-carboxylic acid
Related CAS	4394-00-7 (unlabelled)
Canonical SMILES	C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)F
InChI	InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)/i1+1,3+1,4+1,7+1,8+1,9+1
InChI Key	JZFPYUNJRRFVQU-IKCRXMKJSA-N
Purity	95% by HPLC; 98% atom 13C
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Heated)
Appearance	Pale Yellow Solid
Storage	Store at 2-8°C