Bis(3-hydroxymethylpyridynium) hexafluorosilicate monohydrate as a new potential anticaries agent: Synthesis, crystal structure and pharmacological properties

摘要

The hexafluorosilicate with the composition (LH)(2)SiF6 center dot H2O(I, L = 3-hydroxymethylpyridine) was obtained by reaction of 45 % hexafluorosilicic acid with a methanol solution of L (H2SiF6 : L = 3: 1). The crystal structure I is stabilized by OH center dot center dot center dot O, NH center dot center dot center dot F, and OH center dot center dot center dot F H-bonds, and CH center dot center dot center dot F contacts. The symmetry of the SiF62- anion is close to D-4h. The solubility of I in water was 1.63 mol. % and the degree of hydrolysis of the salt in a 1.10(-4) M aqueous solution was 91.6 %. A PASS-analysis of the spectrum of biological activity L highlighted a low probability of toxic effects.