X-RAY CRYSTALLOGRAPHIC DETERMINATION OF THE ABSOLUTE CONFIGURATION OF (+) FLURBIPROFEN UTILIZING β-CYCLODEXTRIN COMPLEXATION

概要

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The crystal structure of the β-cyclodextrin (β-CyD) complex with an optically active antiinflammatory drug (+) flurbiprofen (FP), 2-(2-fluoro-4-biphenylyl) propionic acid, was determined by the X-ray method, in the hope of establishing the absolute configuration of the chiral guest molecule. The complex crystallized in a space group P1,with unit cell dimensions a=15.446 (2), b=15.513 (2), c=18.107 (2) Å, α=113.52 (1)°, β=99.32 (1)°, and γ=102.89 (1)°. The structure was solved on the basis of the isomorphous structure of the n-propanol complex and refined by the block-diagonal least-squares method to the R-value of 0.095. It was confirmed that the chirality at an asymmetric carbon atom of (+) FP is the S-configuration.
社団法人日本薬学会の論文
1984-04-25