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Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry-Mass Spectrometry Combined with Other Solid-State Analysis Methods.

ABSTRACT: Drospirenone (DE) is a fourth-generation progesterone that has been widely used in oral contraceptives for women because of its safety and few side effects in terms of pharmacological activity. A new solvatomorph (crystal form C) of DE with dimethyl sulfoxide was identified and characterized for the first time through a thermogravimetry-mass spectrometry (TG-MS) coupling system. The thermodynamic property of the new solvatomorph of DE was different from those of most pharmaceutical solvatomorphs, and it was revealed via the skimmer-type interfaced TG-MS system and differential scanning calorimetry. This new solvatomorph and a polymorph of DE obtained without solvent (crystal form A) were well characterized by X-ray crystallography and vibrational spectroscopic analysis. Computational studies based on their single-crystal structures, such as Hirshfeld surface analyses, were used to determine the intermolecular interactions in the crystal network. The single-crystal structure of crystal form C of DE was determined and reported for the first time.

SUBMITTER: Yuan P 

PROVIDER: S-EPMC7542801 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature

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Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry-Mass Spectrometry Combined with Other Solid-State Analysis Methods.

Yuan Penghui P   Yang Dezhi D   Wang Ruonan R   Gong Ningbo N   Zhang Li L   Lu Yang Y   Du Guanhua G  

ACS omega 20200924 39

Drospirenone (DE) is a fourth-generation progesterone that has been widely used in oral contraceptives for women because of its safety and few side effects in terms of pharmacological activity. A new solvatomorph (crystal form C) of DE with dimethyl sulfoxide was identified and characterized for the first time through a thermogravimetry-mass spectrometry (TG-MS) coupling system. The thermodynamic property of the new solvatomorph of DE was different from those of most pharmaceutical solvatomorphs  ...[more]