BENİDİPİN MOLEKÜLÜNÜN DENEYSEL VE TEORİK OLARAK İNCELENMESİ
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Date
2015
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Publisher
Namık Kemal Üniversitesi
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info:eu-repo/semantics/embargoedAccess
Abstract
Benidipin hidroklorür, 1,4-dihidropiridin türevi kalsiyum kanal blokörü antihipertansif bir ilaçtır. Bu çalışmada Benidipin etken maddesi, değişik konsantrasyon ve değişik zaman periyotlarında asidik, bazik, nötral ve oksidatif bozundurmaya uğratılarak bozunma yüzdeleri hesaplanmıştır. Tablet dozaj formunda benidipin tayini için duyarlı spektrofotometrik yöntem geliştirilerek benidipin etken maddesi içeren farmasötik tablette miktar analizi yapılmıştır. Benidipinin olası reaksiyon yolları teorik olarak incelenmiştir. Teorik inceleme için benidipin molekülü Gauss View 5 ile çizilip, hesaplamalar Gaussian09 paket programında yapılmıştır. Kuantum mekaniksel hesaplar gaz fazında yoğunluk fonksiyoneli teorisi DFT/B3LYP/631G* yöntemi kullanılarak yapılmıştır. Her molekülün optimum geometrik parametreleri termodinamik ve elektronik özellikleri hesaplanmıştır.
Benidipine hydrochloride, being the derivate of 1,4-dihydropyridine is a calcium channel blocker antihypertensive drug. In this study, the active ingredient benidipine has been exposed to acidic, basic, neutral and oxidative decomposition in various concentrations and different time periods and its percentage of decomposition was calculated. By developing a spectrophotometric method that is sensitive for benidipine determination in tablet dosage form, quantitative analysis has been made on pharmaceutical tablet comprising active ingredient benidipine. Possible reaction pathways of benidipine have been examined theoretically. Benidipine molecule has been drawn with Gauss View 5 for theoretical analysis and the calculations have been made on Gaussian09 package. The quantum mechanical calculations has been made by using the method of gas phase density functional theory DFT / B3LYP / 631G*. Optimal geometric parameters, thermodynamic and electronic properties of each molecule have been calculated.
Benidipine hydrochloride, being the derivate of 1,4-dihydropyridine is a calcium channel blocker antihypertensive drug. In this study, the active ingredient benidipine has been exposed to acidic, basic, neutral and oxidative decomposition in various concentrations and different time periods and its percentage of decomposition was calculated. By developing a spectrophotometric method that is sensitive for benidipine determination in tablet dosage form, quantitative analysis has been made on pharmaceutical tablet comprising active ingredient benidipine. Possible reaction pathways of benidipine have been examined theoretically. Benidipine molecule has been drawn with Gauss View 5 for theoretical analysis and the calculations have been made on Gaussian09 package. The quantum mechanical calculations has been made by using the method of gas phase density functional theory DFT / B3LYP / 631G*. Optimal geometric parameters, thermodynamic and electronic properties of each molecule have been calculated.
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Keywords
Benidipin, Gaussian09, DFT, Benidipine
