Construction of the quantitative structure retention relationship of cefdinir related substances

Abstract

The molecular descriptors of impurities with known structure in cefdinir were calculated, selected and associated with the chromatographic retention behavior to establish a model. This quantitative structure retention relationships (QSRR) model for the related substances of cefdinir was established under specific chromatographic condition and verified by other impurities. 12 molecular descriptors were used to establish the QSRR model, F-AFRBWF, Blbn-J, SsCH3, SssCH2, SsNH2, SssNH, SssS, SHdCH2, EEM-AFc, EEM-AFpl, EEM-XFpl and Pi-MaxQ. The relativity between true values and predictions in QSRR of cefdinir is R2=0.983 6 (n=18), ARRT is no more than 0.154, as 10.17% in RRT. The results indicate that the QSRR model for the related substances of cefdinir can be used to evaluate the analysis methods for related substances and predict the chromatographic behavior of new impurities, which will provide a new way for the evaluation of the effectiveness for drug quality control.