Li Qian, Shen Wen-bin, Zou Qiao-gen
Center for Instrumental Analysis, China Pharmaceutical University, Nanjing 210009, China.
Yao Xue Xue Bao. 2003 Oct;38(10):767-70.
To study the NMR phenomena of cetirizine hydrochloride and assign all proton and carbon signals in NMR spectra.
To record the 1D and 2D NMR spectra of cetirizine hydrochloride while changing the experimental temperature and adding D2O into the solution.
More than one NMR signal or broad peak resulting from piperazine and the attached groups with N atom were given in DMSO-d6 solution at room temperature. "Coalescence" or narrowing had occurred for the proton and carbon signals when the experimental temperature was increased or D2O was added into the solution.
Compared with the NMR "time scale", there are more than one conformation of cetirizine hydrochloride in DMSO-d6 solution at room temperature. The different conformation will be exchanged fast while temperature rise and the stable conformation will be existed while D2O was added into the solution.
研究盐酸西替利嗪的核磁共振（NMR）现象，并归属NMR谱中的所有质子和碳信号。
在改变实验温度并向溶液中加入重水（D2O）的同时，记录盐酸西替利嗪的一维和二维NMR谱。
室温下，在氘代二甲亚砜（DMSO-d6）溶液中，哌嗪及其与氮原子相连基团产生了不止一个NMR信号或宽峰。当实验温度升高或向溶液中加入D2O时，质子和碳信号出现了“合并”或变窄的情况。
与NMR“时间尺度”相比，室温下盐酸西替利嗪在DMSO-d6溶液中有不止一种构象。温度升高时，不同构象会快速交换；向溶液中加入D2O时，则会存在稳定的构象。
