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Molecular Structure Confirmation

The elucidation of the molecular structure plays an important role in the development of new drug products to identify and confirm the structural identity of a compound. In general, the structure of a drug substance determines the disease targets with which it can interact, which is useful for pharmaceutical scientist to study its therapeutic function. Therefore, it is critical to accurately determine the molecular structure of a drug substance throughout the development process. The most effective way to determine the accuracy of the manufacturing process is to confirm the molecular structure of the produced substance. BOC Sciences provides high-quality services of molecular structures confirmation that can precisely elucidate the chemical structure of the drug substance. You will receive the benefits of professional application of the most accurate methods enhanced by our expertise.

Molecular Structure ConfirmationFigure 1. Potential methods for delivering multimodal drug therapy. (Almansa, C.; Frampton, C. S. et al. 2019)

Our Services

To make it easier and better for researchers, BOC Sciences provides molecular structure confirmation service in a competitive fashion. We have provided a more efficient way to increase the number of new drugs, greatly shorten the R&D cycle, and reduce the development costs

  • We apply our specialized analysis to elucidate the structure of new chemical entities, identify impurities and perform chemical composition characterization
  • Our global network of chemical analysis laboratories utilize a range of techniques to support molecular identification and confirmation in different structural elucidation programs
  • Our team of experts draw on years of dedicated work to provide the structural data you need to advance your research or product development program, or to complete your regulatory reporting

Impurities identification

In general, unknown substances or impurities can be difficult to identify. Considering chemical structure elucidation of impurities is necessary to support regulatory reporting of compounds, we have introduced a range of strategies to perform reliable impurities identification services

Molecular structure determination

The combination of information from the following techniques can produce a comprehensive picture of the molecular structure of a drug substance and thus confirm the identity

  • Our experts use mass spectrometry technique to determine molecular weights and apply tandem MS/MS methods to provide valuable data in the identification of unknown molecules
  • Our spectroscopy scientists apply multiple methodologies such as 1H and 13C nuclear magnetic resonance (NMR) to explore and confirm the connectivity of atoms in the molecule.
  • In addition, we have introduced elemental analysis methods such as inductively coupled plasma spectroscopy (ICP-OES) to effectively help determine the elements present in the compounds of interest
  • In addition, BOC Sciences also supports NMR and chromatographic techniques to study and confirm the optical isomers of chiral molecules

Molecular Structure ConfirmationFigure 2. Structure of an example API-coformer co-crystal and an example API-API co-crystal. (Almansa, C.; Frampton, C. S. et al. 2019)

Structure confirmation techniques

  • Gas chromatography
  • NMR spectroscopy
  • Mass spectrometry
  • IR/UV-visible spectroscopy
  • X-ray powder diffraction
  • Single crystal X-ray diffraction
  • Fourier transform spectroscopy
  • Elemental analysis

Why choose BOC Sciences?

Our dedicated CMC team has provided tailored solutions to our clients from engagement to launch. With many years of industry experience, we provide clients with the following:

  • Comprehensive, integrated CMC services with a flexible service model that grows with your programs
  • Knowledgeable industry experts who deliver scalable, actionable insights
  • World-class facilities and equipment that remain at the forefront of the global pharmaceutical research, analytical and development standards
  • Our comprehensive services support products at every stage of the product lifecycle, from early-stage discovery to full commercial cGMP manufacture
  • A focus on risk management that is designed to ensure completion of your technical goals

BOC Sciences provides professional, rapid and high-quality services of molecular structure confirmation at competitive prices for global customers. Personalized and customized services of molecular structure confirmation can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!


  1. Almansa, C.; Frampton, C. S. et al. Co-crystals as a new approach to multimodal analgesia and the treatment of pain. Journal of Pain Research. 2019. 12.


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