Speaker
Dr
James A. Kaduk
(North Central College - Poly Crystallography Inc. - Illinois Institute of Technology)
Description
As part of a continuing project, the room-temperature crystal structures of several commercial pharmaceutical APIs have been solved using synchrotron X-ray powder diffraction data (11-BM at APS), and optimized using density functional techniques. The molecules to be discussed include: 1. terazosin hydrochloride dihydrate (Hytrin), which was originally solved (but only approximately) using data contained in the Powder Diffraction File database. 2. bretylium tosylate (Bretylol and others), which exhibited significant decomposition in the beam. 3. oxybutynin hydrochloride hemihydrate (Dytropan and Lyrinel XL), which has not been described as a hemihydrate, and which exhibits X-ray induced photoreduction of a triple bond. 4. levocetirizine dihydrochloride (Xyzal), which solves and refines better in P21/n rather than the true space group P21. 5. methylpednisolone acetate (Medrol). The presentation may also include progress (or lack thereof) on februxostat Form G (Uloric and Adenuric), as well as other new structures as they are solved.
