Molecular interactions of cimetidine and water in solution

DOI

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. Cimetidine (CIM) exists in four polymorphs and a monohydrate, and our preliminary data shows interaction between the guanidine NH group and water at high concentrations, which is potentially critical for the formation of the monohydrate. We thus propose to measure neutron total scattering on SANDALS for CIM in neat DMSO solution and in the presence of 5 equivalence of water to elucidate the molecular interaction in solution.

Identifier
DOI https://doi.org/10.5286/ISIS.E.99688181
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/99688181
Provenance
Creator Dr Silvia Imberti; Dr Katharina Edkins; Miss Zara Nicole Shiels; Dr Abdessamad Kaassis
Publisher ISIS Neutron and Muon Source
Publication Year 2021
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2018-11-22T09:00:00Z
Temporal Coverage End 2018-11-26T11:33:28Z