5-Fluoro-2-methyl-1-(4-methylsulfinylbenzylidene)indene Acyl-Beta-D-Glucopyranuronic Acid 2-Propenyl Ester

Ref. TR-F593715

Información del producto

• Nombre: 5-Fluoro-2-methyl-1-(4-methylsulfinylbenzylidene)indene Acyl-Beta-D-Glucopyranuronic Acid 2-Propenyl Ester

Descripción

Applications 5-Fluoro-2-methyl-1-(4-methylsulfinylbenzylidene)indene Acyl-β-D-Glucopyranuronic Acid 2-Propenyl Ester is an metabolite of the non-steroidal anti-inflammatory drug Sulindac (S699215) found in plasma and urine.
References Hucker, H.B., et al.: Drug Metab. Dispos., 1, 721 (1973),

• Marca: TRC

Propiedades químicas

• Peso molecular: 572.6
• Fórmula: C₂₉H₂₉FO₉S
• Color/Forma: White to Off-White Solid
• InChI: InChI=1S/C29H29FO9S/c1-4-11-37-28(35)27-25(33)24(32)26(34)29(39-27)38-23(31)14-21-15(2)20(19-10-7-17(30)13-22(19)21)12-16-5-8-18(9-6-16)40(3)36/h4-10,12-13,24-27,29,32-34H,1,11,14H2,2-3H3/b20-12-/t24?,25-,26?,27?,29+,40?/m0/s1
• Clave InChI: InChIKey=MYTGZSXIKWUBPU-OGUIHCNCSA-N
• SMILES: C=CCOC(=O)C1O[C@@H](OC(=O)CC2=C(C)/C(=C/c3ccc(S(C)=O)cc3)c3ccc(F)cc32)C(O)C(O)[C@@H]1O