Baker J K, Skelton R E, Riley T N, Bagley J R
J Chromatogr Sci. 1980 Apr;18(4):153-8. doi: 10.1093/chromsci/18.4.153.
A method for the prediction of the retention index of drugs on C18 reversed-phase columns was developed and then applied to a series of drugs that were structurally related to morphine and to a series related to fentanyl. The HPLC retention index (/) of the test compounds was estimated using the equation: / = 200 pi + /ref. where pi was the sum of the Hansch substituent constants for the compound, and /ref. was the index experimentally observed for the reference compound of the series. It was also found that the observed index could be used to assign the stereochemistry of the fentanyl analogues.
开发了一种预测药物在C18反相柱上保留指数的方法,然后将其应用于一系列与吗啡结构相关的药物以及与芬太尼相关的一系列药物。使用以下公式估算测试化合物的HPLC保留指数(/):/ = 200πi + /ref。其中πi是该化合物的Hansch取代基常数之和,/ref是该系列参考化合物实验观察到的指数。还发现观察到的指数可用于确定芬太尼类似物的立体化学。