罗库溴铵液相条件评估数据

罗库溴铵液相分离方法改进。罗库溴铵是一种非去极化肌神经肌肉阻滞剂，其合成过程中引入的中间体Ⅰ、杂质Ⅰ和杂质Ⅱ结构相近，难以分离。所以建立一种操作简单、稳定有效的分析检测方法对罗库溴铵中间体及杂质进行分析检测是非常重要的。按照药典使用C8色谱柱，样品浓度在20mg/ml的条件下，对检测波长、流动相、柱温、流速四个条件设计不同数值进行平行试验，借助大数据分析技术，对相关结果进行全面评估，筛选出不同普遍有效的液相条件，为罗库溴铵杂质液相检测提供精准数据。罗库溴铵液相条件评估数据算法规则如下： 第一，条件设置：检测波长205nm、225nm、245nm；流动相为乙腈-四氢呋喃溶液，含量为35%、45%和55%。柱温分别为30℃、35℃、40℃；流速为0.8ml/min、1.0ml/min、1.2ml/min。以分离度为指标，考察不同条件下的杂质分离效能； 第二，数据算法：罗库溴铵分离度在5.00及以上得2分，在4.00~5.00得1分，4.00以下及未分离不得分，分数填入右侧的评分列。中间体Ⅰ、杂质Ⅰ和杂质Ⅱ分离度在1.50及以上得1分，小于1.50及未分离不得分，分数分别填入右侧的评分列。将上述分数相加，填入总分列。

Improved Liquid Chromatographic Separation Method for Rocuronium Bromide. Rocuronium bromide is a non-depolarizing neuromuscular blocking agent. During its synthesis, the introduced Intermediate I, Impurity I and Impurity II have similar structures, making their separation challenging. Therefore, establishing a simple, stable and effective analytical detection method for rocuronium bromide intermediates and impurities is of great significance. Following the pharmacopeia, using a C8 chromatographic column with a sample concentration of 20 mg/ml, parallel experiments were designed with varying values for four parameters: detection wavelength, mobile phase, column temperature and flow rate. Via big data analysis technology, comprehensive evaluation was conducted on the experimental results, and universally applicable liquid phase conditions were screened out, providing accurate data for liquid phase detection of rocuronium bromide impurities. The algorithm rules for evaluating liquid phase conditions of rocuronium bromide are as follows: 1. Condition setup: The detection wavelengths are set as 205 nm, 225 nm and 245 nm; the mobile phase is acetonitrile-tetrahydrofuran solution with volume fractions of 35%, 45% and 55%. The column temperatures are 30 ℃, 35 ℃ and 40 ℃ respectively; the flow rates are 0.8 ml/min, 1.0 ml/min and 1.2 ml/min. Taking resolution as the evaluation index, the impurity separation efficiency under different conditions was investigated; 2. Data algorithm: For the resolution of rocuronium bromide, 2 points will be awarded if it is ≥5.00, 1 point if it is between 4.00 and 5.00, and 0 points if it is below 4.00 or no separation is achieved, with the scores filled in the corresponding scoring column on the right. For the resolutions of Intermediate I, Impurity I and Impurity II, 1 point will be awarded if the resolution is ≥1.50, and 0 points if it is <1.50 or no separation is achieved, with the scores filled in their respective scoring columns respectively. The sum of the above scores shall be calculated and filled in the total score column.

搜集汇总

数据集介绍

特点

该数据集包含83条罗库溴铵液相条件评估数据，用于改进罗库溴铵液相分离方法，评估不同条件下的分离效能。