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CAS RN 1246819-50-0

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1

Febuxostat-d9 (2-methylpropoxy-d9), CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
CAS 1246819-50-0
Molecular Weight (g/mol) 325.43
InChI Formula InChI=1 S/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/h4-6,9 H,8H2,1-3H3,(H,19,20)/i1D3,2D3,8D2,9 D
Chemical Name or Material Febuxostat-d9
SMILES [2 H]C([2 H])([2 H])C([2 H])(C([2 H])([2 H])[2 H])C([2 H])([2 H])Oc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O
Synonym 5-Thiazolecarboxylic acid, 2-[3-cyano-4-[2-(methyl-d3)propoxy-1,1,2,3,3,3-d6]phenyl]-4-methyl- (ACI),2-[3-Cyano-4-[2-(methyl-d3)propoxy-1,1,2,3,3,3-d6]phenyl]-4-methyl-5-thiazolecarboxylic acid (ACI),2-[3-Cyano-4-(isobutyl-d9)oxyphenyl]-4-methyl-5-thiazolecarboxylic acid,Febuxostat-d9,Febuxostat-D9 (isobutyl-D9),Febuxostat-d9 (2-methylpropoxy-d9)
Recommended Storage Room Temperature
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
Molecular Formula C16 D9 H7 N2 O3 S
Formula Weight 325.145 g/mol
2

Febuxostat-d9, TRC

CAS: 1246819-50-0 Molecular Formula: C16 D9 H7 N2 O3 S Molecular Weight (g/mol): 325.43 Synonym: 5-Thiazolecarboxylic acid, 2-[3-cyano-4-[2-(methyl-d3)propoxy-1,1,2,3,3,3-d6]phenyl]-4-methyl- (ACI),2-[3-Cyano-4-[2-(methyl-d3)propoxy-1,1,2,3,3,3-d6]phenyl]-4-methyl-5-thiazolecarboxylic acid (ACI),2-[3-Cyano-4-(isobutyl-d9)oxyphenyl]-4-methyl-5-thiazolecarboxylic acid,Febuxostat-d9,Febuxostat-D9 (isobutyl-D9),Febuxostat-d9 (2-methylpropoxy-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 SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Oc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O

CAS 1246819-50-0
Molecular Weight (g/mol) 325.43
SMILES [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Oc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O
Synonym 5-Thiazolecarboxylic acid, 2-[3-cyano-4-[2-(methyl-d3)propoxy-1,1,2,3,3,3-d6]phenyl]-4-methyl- (ACI),2-[3-Cyano-4-[2-(methyl-d3)propoxy-1,1,2,3,3,3-d6]phenyl]-4-methyl-5-thiazolecarboxylic acid (ACI),2-[3-Cyano-4-(isobutyl-d9)oxyphenyl]-4-methyl-5-thiazolecarboxylic acid,Febuxostat-d9,Febuxostat-D9 (isobutyl-D9),Febuxostat-d9 (2-methylpropoxy-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
Molecular Formula C16 D9 H7 N2 O3 S