Structural Insights and Intermolecular Energy for Some Medium and Long-Chain Testosterone Esters

被引：3

作者：

Turza, Alexandru ^{[1
]}

Pascuta, Petru ^{[2
]}

Mare, Liviu ^{[2
]}

Borodi, Gheorghe ^{[1
]}

Popescu, Violeta ^{[2
]}

机构：

[1] Natl Inst R&D Isotop & Mol Technol, 67-103 Donat, Cluj Napoca 400293, Romania

[2] Tech Univ Cluj Napoca, Dept Phys & Chem, Cluj Napoca 400114, Romania

来源：

MOLECULES | 2023年 / 28卷 / 07期

关键词：

testosterone; ester; crystal structure; lattice energy; solubility; ANDROGEN RECEPTOR; CRYSTAL; FORMS;

D O I：

10.3390/molecules28073097

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Testosterone (17 beta-Hydroxyandrost-4-en-3-one) is the primary male anabolic-androgenic steroid. The crystal structures of two medium and two long esterified forms of testosterone, including enanthate, cypionate, decanoate and undecanoate, were determined by X-ray single crystal diffraction. The samples were also characterized by powder X-ray diffraction, FT-IR spectroscopy and thermal analysis (DTA, TG). Crystal packings and supramolecular features were described. The analysis of structural features was accomplished by computational methods in terms of the type of intermolecular interactions, crystal energies and Hirshfeld surfaces analysis. From a pharmaceutical point of view, the solubility of compounds was investigated.

引用

页数：14