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Febuxostat-d9 , CAS No.1246819-50-0
Basic Description
Synonyms | Febuxostat D9|Febuxostat-d9|1246819-50-0|2-[3-cyano-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid|DTXSID60678704|HY-14268S|AKOS037652743|ES-2504|F90886|2-(3-Cyano-4-{[2-(~2~H_3_)methyl(~2~H_6_)pro |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Product Description | Febuxostat-d 9 is deuterium labeled Febuxostat, which is a selective xanthine oxidase inhibitor with a Ki of 0.6 nM. Form:Solid |
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Names and Identifiers
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 |
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 |
Canonical SMILES | CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O |
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 |
PubChem CID | 49849690 |
Molecular Weight | 325.43 |
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