DL-乳酸伏硫西汀的单晶制备及其结构表征  

Single crystal culture and structure characterization of vortioxetine DL-lactate

作　　者：郭晓 曹雪丽 焉玉超 王艳艳 田润昱 GUO Xiao;CAO Xue-li;YAN Yu-chao;WANG Yan-yan;TIAN Run-yu(Shandong Jewim Pharmaceutical Co.,Ltd.,Taian 271000,China;Taishan University,Taian 271000,China)

机构地区：[1]山东京卫制药有限公司,山东泰安271000 [2]泰山学院,山东泰安271000

出　　处：《现代药物与临床》2021年第8期1580-1585,共6页Drugs & Clinic

基　　金：泰安市科技创新发展项目(2020NS075);泰山学院引进人才科研启动基金项目(Y-01-2018012)。

摘　　要：目的培养DL-乳酸伏硫西汀的单晶,并对其进行结构表征。方法通过溶剂挥发法制备DL-乳酸伏硫西汀单晶,并采用热重分析仪(TGA)、差示扫描量热仪(DSC)、傅立叶变换红外光谱仪(IR)、粉末X射线衍射仪(PXRD)和单晶X射线衍射仪(SXRD)对其结晶形态进行表征。结果乙腈溶剂挥发法可以制备得到β晶型DL-乳酸伏硫西汀无色立方状单晶,其DSC和PXRD图谱与文献报道一致。单晶X射线衍射结果表明DL-乳酸伏硫西汀的化学计量式为C_(21)H_(28)N_(2)O_(3)S,相对分子质量为388.51,晶体密度为1.246 g/cm^(3),该晶胞属于单斜晶系,空间群为P2_(1/c)。结论采用X射线单晶衍射确证了DL-乳酸伏硫西汀单晶的结构,为DL-乳酸伏硫西汀的进一步开发提供了研究基础。Objective To prepare single crystal of vortioxetine DL-lactate,and investigate the structure characterization.Methods Evaporation method was used to grow single crystals of vortioxetine DL-lactate,which were then characterized using thermal gravimetric analyzer(TGA),differential scanning calorimetry(DSC),Fourier transform infrared spectrometer(IR),powder X-ray diffraction(PXRD),and single X-ray diffraction(SXRD).Results Single colorless block crystal of vortioxetine DL-lactate form β could be obtained through acetonitrile evaporation.DSC graph and PXRD spectrum was in good agreement with data reported in literatures.SXRD results showed that the unit stoichiometric of vortioxetine DL-lactate was C_(21)H_(28)N_(2)O_(3)S,and the relative molecular mass was 388.51,and crystal density was 1.246 g/cm^(3).The unit cell belonged to a monoclinic system,and the space group was P2_(1/c).Conclusion Crystal structure of vortioxetine DL-lactate is characterized by single X-ray diffraction,which provides a basis for the further development of vortioxetine DL-lactate.

关 键 词：DL-乳酸伏硫西汀 单晶培养 X射线单晶衍射 结构表征 

分 类 号：R962[医药卫生—药理学]