Bromfenac N-Allyloxycarbonyl Allyl-a-D-glucuronide

Ref. TR-B678568

Información del producto

• Nombre: Bromfenac N-Allyloxycarbonyl Allyl-a-D-glucuronide
• Sinónimos: (2S,3S,4S,5R,6R)-Allyl 6-(2-(2-(((Allyloxy)carbonyl)amino)-3-(4-bromobenzoyl)phenyl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

Descripción

Applications Bromfenac N-Allyloxycarbonyl Allyl-α-D-Glucuronide is an intermediate in synthesizing Bromfenac Acyl-β-D-Glucuronide (B678565), which is a metabolite of Bromfenac (B678550).
References Kaspersen, F.M., et al.: Xenobiotica, 17, 1451 (1987); Spahn-Langguth, H., et al.: Drug Metab. Rev., 24, 5 (1992)

• Marca: TRC

Propiedades químicas

• Peso molecular: 634.43
• Fórmula: C₂₈H₂₈BrNO₁₁
• Color/Forma: Off-White Solid
• InChI: InChI=1S/C28H28BrNO11/c1-3-12-38-26(36)25-23(34)22(33)24(35)27(41-25)40-19(31)14-16-6-5-7-18(20(16)30-28(37)39-13-4-2)21(32)15-8-10-17(29)11-9-15/h3-11,22-25,27,33-35H,1-2,12-14H2,(H,30,37)/t22-,23-,24+,25-,27+/m0/s1
• Clave InChI: InChIKey=KTIFMRAKFCWOFQ-DKLFHUDLSA-N
• SMILES: C=CCOC(=O)Nc1c(CC(=O)O[C@H]2O[C@H](C(=O)OCC=C)[C@@H](O)[C@H](O)[C@H]2O)cccc1C(=O)c1ccc(Br)cc1