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Febuxostat-[d9]

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General Information
Catalog: BLP-012353
CAS: 1246819-50-0
Molecular Formula: C16H7D9N2O3S
Molecular Weight: 325.43

Chemical Structure

Description	Febuxostat-[d9] is the labelled analogue of Febuxostat which is an antihyperuricemic nonpurine inhibitor of both the oxidized and reduced forms of xanthine oxidase.
Synonyms	Febuxostat D9; 2-[3-Cyano-4-(2-methylpropoxy-d9)phenyl]-4-methyl-5-thiazolecarboxylic Acid; 2-(3-Cyano-4-isobutyloxyphenyl-d9)-4-methyl-5-thiazolecarboxylic Acid; TEI 6720-d9; TMX 67-d9
IUPAC Name	2-[3-cyano-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Related CAS	144060-53-7 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])OC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)C#N
Canonical SMILES	CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O
InChI	InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)/i1D3,2D3,8D2,9D
InChI Key	BQSJTQLCZDPROO-KIROAFHOSA-N
Melting Point	>201°C (dec.)
Purity	98.6% HPLC; 99% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Application	The Isotope labelled form of Febuxostat.
Shelf Life	As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly
Storage	Store at -20°C