Zhou Xin Bo, Zhu Jian Rong, Gu Jian Ming, Hu Xiu Rong
Zhejiang Jingxin Pharmaceutical Co. Ltd, Xinchang, Zhejiang 312500, People's Republic of China.
Chemistry Department, Zhejiang University, Hangzhou, Zhejiang 310028, People's Republic of China.
Acta Crystallogr C Struct Chem. 2018 Jun 1;74(Pt 6):690-695. doi: 10.1107/S2053229618006836. Epub 2018 May 22.
Cisapride monohydrate (systematic name: 4-amino-5-chloro-N-{(3RS,4SR)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl}-2-methoxybenzamide monohydrate), CHClFNO·HO, is a nondopamine-blocking gastrokinetic drug. A new polymorph of cisapride monohydrate has been reported nearly three decades after the report of its first known crystal structure [Collin et al. (1989). J. Mol. Struct. 214, 159-175]. The second polymorph is also monoclinic, but with different unit-cell parameters. A comparison of both polymorphic forms shows that the difference is thus not in the molecular conformation but in the arrangements of molecules in the crystal packing. The crystal morphology of two forms was predicted with the BFDH model in Materials Studio and inferred that the powder of the new polymorph has better flowability than the original polymorph. The results of DSC (differential scanning calorimetry) analysis and slurry experiments show that both polymorphs are stable at room temperature.
西沙必利一水合物（系统名称：4-氨基-5-氯-N-{（3RS，4SR）-1-[3-（4-氟苯氧基）丙基]-3-甲氧基哌啶-4-基}-2-甲氧基苯甲酰胺一水合物），CHClFNO·HO，是一种非多巴胺阻断性胃肠动力药物。在其首个已知晶体结构的报告[科林等人（1989年）。《分子结构杂志》214，159 - 175]发表近三十年后，已报道了西沙必利一水合物的一种新多晶型物。第二种多晶型物也是单斜晶系，但具有不同的晶胞参数。两种多晶型形式的比较表明，差异不在于分子构象，而在于晶体堆积中分子的排列方式。利用Materials Studio中的BFDH模型预测了两种形式的晶体形态，并推断新多晶型物的粉末比原始多晶型物具有更好的流动性。差示扫描量热法（DSC）分析和浆体实验结果表明，两种多晶型物在室温下都是稳定的。
