ISIS Neutron and Muon Source Data Journal

Molecular interactions of etiracetam and water in solution

Abstract: Active pharmaceutical ingredient (APIs) are frequently delivered to the patient in the solid-state as part of an approved dosage form (e.g., tablets, capsules, etc.). Drug compounds tend to crystallise into different crystal forms, some of which incorporate solvent (water). We are investigating the factors leading to water incorporation. RS-Etiracetam exists in two polymorphs and a monohydrate, but its enantiomer S-Etiracetam does not form either polymorph or hydrate. Our preliminary data shows interaction between the NH2 and C=O moieties and water, which is potentially critical for the formation of the monohydrate but does not explain the different solid-state behaviour between the racemate and the enantiomer. We thus propose to measure neutron total scattering on SANDALS for RS-Etiracetam and S-Etiracetam to elucidate why the racemate forms a hydrate and the pure enantiomer does not.

Principal Investigator: Dr Katharina Edkins
Experimenter: Dr Robert Edkins
Experimenter: Miss Yitian Xiao
Experimenter: Dr Silvia Imberti
Experimenter: Dr Abdessamad Kaassis
Local Contact: Dr Sabrina Gaertner

DOI: 10.5286/ISIS.E.RB1910405

ISIS Experiment Number: RB1910405

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Katharina Edkins et al; (2019): Molecular interactions of etiracetam and water in solution, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1910405

Data is released under the CC-BY-4.0 license.