KFU. Card publication. Exposing Hidden Conformations of Carbamazepine Appearing Due to Interaction With the Solid Phase by 2D 1H-15N HMBC NMR Spectroscopy

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EXPOSING HIDDEN CONFORMATIONS OF CARBAMAZEPINE APPEARING DUE TO INTERACTION WITH THE SOLID PHASE BY 2D 1H-15N HMBC NMR SPECTROSCOPY

Form of presentation

Articles in international journals and collections

Year of publication

2021

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Authors, employees of KFU

Efimov Sergey Vladimirovich, author

Khodov Ilya Anatolevich, author

Bibliographic description in the original language

Khodov I, Efimov S, Krestyaninov M, Exposing Hidden Conformations of Carbamazepine Appearing Due to Interaction With the Solid Phase by 2D 1H-15N HMBC NMR Spectroscopy//Journal of Pharmaceutical Sciences. - 2021. - Vol. 110, P 1533-1539

Annotation

Two-dimensional 1H-15N HMBC NMR spectra of the well-known anticonvulsant carbamazepine dissolved in different organic solvents, recorded on an NMR spectrometer prove the existence of hidden conformers in saturated solutions. Obtained conformer distribution arises due to the presence of the solid phase in saturated solution. A weak influence of ring currents was revealed for different molecular conformations of carbamazepine dissolved in a saturated solution, which provides a simple approach to discovering hidden conformations. Hidden conformers were found in three different solvents: dimethyl sulfoxide, chloroform, and dichloromethane.

Keywords

Drug design; Nuclear magnetic resonance (NMR) spectroscopy; Polymorph(s); Spectroscopy; Structure

The name of the journal

Journal of Pharmaceutical Sciences

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85099629931&doi=10.1016%2fj.xphs.2021.01.001&partnerID=40&md5=06206c3599cb6622ed26a49075941e61

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=258027&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Efimov Sergey Vladimirovich	ru_RU
dc.contributor.author	Khodov Ilya Anatolevich	ru_RU
dc.date.accessioned	2021-01-01T00:00:00Z	ru_RU
dc.date.available	2021-01-01T00:00:00Z	ru_RU
dc.date.issued	2021	ru_RU
dc.identifier.citation	Khodov I, Efimov S, Krestyaninov M, Exposing Hidden Conformations of Carbamazepine Appearing Due to Interaction With the Solid Phase by 2D 1H-15N HMBC NMR Spectroscopy//Journal of Pharmaceutical Sciences. - 2021. - Vol. 110, P 1533-1539	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=258027&p_lang=2	ru_RU
dc.description.abstract	Journal of Pharmaceutical Sciences	ru_RU
dc.description.abstract	Two-dimensional 1H-15N HMBC NMR spectra of the well-known anticonvulsant carbamazepine dissolved in different organic solvents, recorded on an NMR spectrometer prove the existence of hidden conformers in saturated solutions. Obtained conformer distribution arises due to the presence of the solid phase in saturated solution. A weak influence of ring currents was revealed for different molecular conformations of carbamazepine dissolved in a saturated solution, which provides a simple approach to discovering hidden conformations. Hidden conformers were found in three different solvents: dimethyl sulfoxide, chloroform, and dichloromethane.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject		ru_RU
dc.title	Exposing Hidden Conformations of Carbamazepine Appearing Due to Interaction With the Solid Phase by 2D 1H-15N HMBC NMR Spectroscopy	ru_RU
dc.type	Articles in international journals and collections	ru_RU