文拉法辛有机酸盐晶体结构表面分析和红外光谱鉴定  

Crystal Structure,Surface Analysis and Spectrum Identification of Venlafaxine Organic Acid Salt

作　　者：喻红梅 张宝喜[1] 邢逞[1] 胡堃[1] 龚宁波[1] 吕扬[1] YU Hongmei;ZHANG Baoxi;XING Cheng;HU Kun;GONG Ningbo;LYU Yang(Beijing Key Laboratory of Polymorphic Drugs,Institute of Materia Medica,Chinese Academy of Medical Sciences,Beijing 100050,China)

机构地区：[1]北京协和医学院中国医学科学院药物研究所晶型药物研究北京市重点实验室,北京100050

出　　处：《医药导报》2021年第10期1347-1351,共5页Herald of Medicine

基　　金：国家重点研发计划(2016YFC1000900);中国医学科学院医学与健康科技创新工程项目(2017-I2M-1-010);天然/有效活性小分子高效获取鉴定的技术集成体系构建及应用(2018ZX09711001-001);国家科技重大专项-重大新药创制(2017ZX09101001003,2018ZX09711001-001-013,2018ZX09711-001-010,2018ZX09711001-003-022)。

摘　　要：目的制备文拉法辛新盐型,并分析其分子间作用方式。方法采用悬浮液法制备文拉法辛新盐型,采用溶液挥发法进行了晶体生长,用单晶X射线衍射分析方法获得文拉法辛盐的晶体结构,用Crystal Explorer软件对2种盐型进行Hirshfeld表面分析,用红外光谱对盐型进行了鉴定分析。结果获得文拉法辛对氨基苯磺酸盐和文拉法辛对羟基苯甲酸盐。两种盐具有相似的分子相互作用,H…H,H…O,H…C这3种作用占据了99%以上的贡献。结论通过成盐反应可以制备文拉法辛新盐型,分子通过盐键、氢键等分子间作用力维系其在空间的稳定排列,Hirshfeld表面分析法能清晰直观地揭示各分子间相互作用,红外光谱可以准确区分2种文拉法辛盐。研究结果为文拉法辛新盐型的制备和鉴别提供了技术支撑。Objective New salt forms of venlafaxine were prepared,and the intermolecular interactions were studied.Methods Solvent suspension was used to prepare the new salt forms of venlafaxine,and the crystal growth method was carried out by the solution volatilization method.Three-dimensional structures of salts were obtained through single crystal X-ray diffraction(SXRD),and intermolecular interactions were analyzed using Hirshfeld surface analysis,and infrared spectroscopy was employed to identify the salt forms.Results Salts of venlafaxine-p-sulfanilic acid and venlafaxine-p-hydroxybenzoic acid were obtained.The two salts have similar intermolecular interactions.Three interactions,H…H,H…O,H…C account for more than 99%of the contributions.Conclusion New venlafaxine salts can be prepared through the salt formation reaction.Two salts maintain their stable arrangements in space by salt bond,hydrogen bond and intermolecular force.The interaction in salts can be clearly and directly revealed by the Hirshfeld surface analysis,and infrared spectroscopy can accurately distinguish two venlafaxine salts.The research results provide the technical supports for the preparations and identification of the new salt forms of venlafaxine.

关 键 词：文拉法辛 有机酸盐 晶体结构 表面分析 红外光谱 

分 类 号：R971.43[医药卫生—药品] R917[医药卫生—药学]