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Dergiler / International Journal of Chemistry and Technology / 2018 / Volume: 2 Issue: 2

Theoretical approach using DFT and muscle relaxant effects of 5-Chloroisatin Derivatives

Zineb Tribak0000-0002-2169-9856
Alae Chda
Mohammed Khalid Skalli
Amal Haoudi
Youssef Kandri Rodi
Omar Senhaji
El Mokhtar Essassi
Rachid Ben Cheikh
Kaouakib El Abida
Sayfa
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Yayın Tarihi
2018-12-28
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The result of descriptors calculation revealed that the theoretical approach was in good agreement with the reported experimental data.

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Amaç & Hipotez:A new series of 5-Chloroisatin derivatives were synthesied and characterises with different characterization methods such as 1 H-NMR and1 3 C-NMR spectroscopy, and then tested for their myorelaxant activity.
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Temel Bulgular & Veri:Computational investigations of the compounds 1a-3a , 2b and 4b on the muscle-relaxing effects performance were performed by using the DFT method with B3LYP functional .
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Sonuç & Katkı:The result of descriptors calculation revealed that the theoretical approach was in good agreement with the reported experimental data.
🔬Tür:Research Article
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:5-Chloroisatin derivatives · B3LYP functional and DFT method · synthesis

Abstract

A new series of 5-Chloroisatin derivatives were synthesied and characterises with different characterization methods such as 1 H-NMR and1 3 C-NMR spectroscopy, and then tested for their myorelaxant activity. Computational investigations of the compounds 1a-3a , 2b and 4b on the muscle-relaxing effects performance were performed by using the DFT method with B3LYP functional . The result of descriptors calculation revealed that the theoretical approach was in good agreement with the reported experimental data.

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Bu Makaleye Atıf Yap

Tribak, Z., Chda, A., Skalli, M. K., Haoudi, A., Rodi, Y. K., Senhaji, O., Essassi, E. M., Cheikh, R. B., Abida, K. E. (2018). Theoretical approach using DFT and muscle relaxant effects of 5-Chloroisatin Derivatives. International Journal of Chemistry and Technology, Volume: 2 Issue: 2. https://doi.org/10.32571/ijct.446539

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