Cediranib Maleate-From Crystal Structure Toward Materials Control.

Cediranib maleate is an active pharmaceutical ingredient (API) in phase III of development within AstraZeneca's oncology portfolio. Analysis of the crystal structure of this API confirmed that the selected salt form was robust. The salt formation step had to be redesigned to avoid an unwanted metastable polymorph.

The CSD Drug Subset: The Changing Chemistry and Crystallography of Small Molecule Pharmaceuticals.

We report the generation and statistical analysis of the CSD drug subset: a subset of the Cambridge Structural Database (CSD) consisting of every published small-molecule crystal structure containing an approved drug molecule. By making use of InChI matching, a CSD Python API workflow to link CSD entries to the online database Drugbank.ca has been produced.

Structure, solubility, screening, and synthesis of molecular salts.

The preparation of molecular salts as potential delivery vehicles for pharmaceutically active compounds is more common than current appreciation of the phenomena governing the solubility and isolation of salts suggests. In addition, it would appear that there are no reported measurements on a large enough data set for a serious structure-property relationship analysis to have been performed for this class of material. This means that at present, the ability to predict which salt forms will have desirable physical properties is essentially nonexistent.

17 salts of ephedrine: crystal structures and packing analysis.

The structures of two neutral and 17 salt forms of the base (1R, 2S)-(-)-ephedrine are reported. These structures are discussed in the light of the conformers of the ephedrine moiety, the existence of bilayers and the structure determining role of the counterions. Overall, most of the salt structures are essentially derived from the observed packing of the neutral base and are dominated by the amphiphilic nature of the ephedrine molecular structure.