Crystal Structure and Intermolecular Energy for Some Nandrolone Esters-Reference-Cited by-同舟云学术

Crystal Structure and Intermolecular Energy for Some Nandrolone Esters

Published:2023-10-19 Issue:20 Volume:28 Page:7179
ISSN:1420-3049
Container-title:Molecules
language:en
Short-container-title:Molecules

Author:

Mare Liviu¹,Muresan-Pop Marieta²^ORCID,Purcea Lopes Pompilia Mioara¹^ORCID,Turza Alexandru³^ORCID,Borodi Gheorghe³,Popescu Violeta¹^ORCID

Affiliation:

1. Physics & Chemistry Department, Technical University of Cluj-Napoca, 400114 Cluj-Napoca, Romania

2. Interdisciplinary Research Institute in Bio-Nano-Sciences, Babes-Bolyai University, 42 Treboniu Laurian, 400271 Cluj-Napoca, Romania

3. National Institute for R&D of Isotopic and Molecular Technologies, 67-103 Donat, 400293 Cluj-Napoca, Romania

Abstract

Nandrolone (Estr-4-en-17β-ol-3-one) is a derivative of testosterone and a naturally occurring anabolic–androgenic agent which belongs to the steroid group. Crystal structures of four short, medium and long esterified forms of nandrolone, including propionate, phenylpropionate, cypionate and undecanoate were determined using single-crystal X-ray diffraction. Crystal packing, supramolecular features and intermolecular interactions were described based on a quantitative and qualitative Hirshfeld surfaces analysis accompanied by evaluation of crystal energies and intermolecular interactions computation. Also, the solubility of the esters was investigated from a pharmaceutical perspective.

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

Link

https://www.mdpi.com/1420-3049/28/20/7179/pdf

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