Bromfenac N-Allyloxycarbonyl Allyl-b-D-glucuronide

Ref. TR-B678578

Información del producto

• Nombre: Bromfenac N-Allyloxycarbonyl Allyl-b-D-glucuronide
• Sinónimos: (2S,3S,4S,5R,6S)-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-β-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/C27H28BrNO10.ClH/c1-10-22(31)13(29)6-17(38-10)39-15-8-27(36,16(30)9-28)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,31,33,35-36H,6-9,29H2,1-2H3;1H/t10-,13?,15-,17-,22-,27-;/m0./s1
• Clave InChI: InChIKey=QOPOFAIJIBFJRD-NOICGAQASA-N
• SMILES: COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CBr)C[C@@H]3O[C@H]1CC(N)[C@@H](O)[C@H](C)O1.Cl