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Tolfenamic acid-[13C6]

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General Information
Catalog: BLP-012808
CAS: 1420043-61-3
Molecular Formula: C8[13C]6H12ClNO2
Molecular Weight: 267.66

Chemical Structure

Description	Tolfenamic acid-[13C6] is the labelled analogue of Tolfenamic acid, which is a non-steroidal anti-inflammatory drug (NSAID). It is a derivative of anthranilic acid, related structurally to Mefenamic and Flufenamic acids.
Synonyms	2-(3-Chloro-2-methyl-phenylamino)-13C6-benzoic acid; Tolfenamic acid-13C6; Tolfenamic Acid-(Benzoic ring-13C6); N-(3-Chloro-o-tolyl)anthranilic Acid-13C6; Clotam-13C6; Migea-13C6; N-(2-Methyl-3-chlorophenyl)anthranilic Acid-13C6; Tolfedine-13C6; Tolfine-13C6
IUPAC Name	6-(3-chloro-2-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS	13710-19-5 (unlabelled)
Isomeric SMILES	CC1=C(C=CC=C1Cl)N[13C]2=[13CH][13CH]=[13CH][13CH]=[13C]2C(=O)O
Canonical SMILES	CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O
InChI	InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)/i2+1,3+1,5+1,7+1,10+1,13+1
InChI Key	YEZNLOUZAIOMLT-CDLMHYHCSA-N
Purity	95% by HPLC; 98% atom 13C
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at 2-8°C