Synthesis and Crystal Structure Studies of Mitomycin C Dihydrate

Abstract

The absolute configuration of mitomycin C was determined by X-ray single crystal diffraction (CuKα), and a new crystalline dihydrate of mitomycin C had been prepared. The experiment result provides a definitive answer to the real absolute configuration of mitomycin C and may put an end to the dispute that baffles researchers for decades. At the same time, some contentious structures about the mitomycin C in American Pharmacopoeia USP36-NF31, Chinese pharmacopoeia 2015 edtion and numbers of literatures are marked. The absolute configuration is also verified by 1D (1H and 13C) and 2D (HSQC, HMBC, 1H-1H COSY and NOESY) NMR studies indirectly. Powder X-ray diffraction (PXRD) pattern of the mitomycin C dihydrate is similar to that calculated for it, which suggests that the purity of sample is excellent.