Prediction and experimental determination of the binary and ternary phase diagrams of (±)medetomidine hydrochloride

Choobdari, Ebrahim; Fakhraian, Hossein; Peyrovi, M. H.

doi:10.1016/j.tetasy.2013.05.019

Cited by 2 publications

(6 citation statements)

References 25 publications

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“…There are substantial differences between the diffractograms of ( S )‐enantiomer and racemate of Med.HBr and Med.HI (Fig. ), as previously reported for Med.HCl, supporting the observations considering hydrogen halide salts of medetomidine as racemic compounds. A close match of the 2θ values of the peaks in the XRD patterns of the ( S )‐Med.Ox and ( rac )‐Med.Ox (Fig.…”

Section: Resultssupporting

confidence: 86%

“…(1) and (2). From these data and our previous study, heat of fusion of S‐enantiomer and racemate of hydrogen halide salts of medetomidine can be calculated. Heat of fusion of the racemate decreases with an increase of ionic radius (Table ), while eutectic points of hydrogen halide salts of medetomidine are nearly unchanged.…”

Section: Resultsmentioning

confidence: 80%

“…Dexmedetomidine, as the active ingredient of the racemic mixture, has gained more interest than the medetomidine racemate in human anesthesiology. In our recent study, the racemic compound behavior of Med.HCl was introduced and its binary and ternary phase diagram were determined.…”

Section: Introductionmentioning

confidence: 99%

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Anion Effect on the Binary and Ternary Phase Diagrams of Chiral Medetomidine Salts and Conglomerate Crystal Formation

2014

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The binary phase diagrams of hydrogen halides salts of medetomidine (Med.HX, X:Br,I) and hydrogen oxalate salt of medetomidine (Med.Ox) were determined based on thermogravimetric/differential thermal analysis (TGA/DTA) and their crystal structure behavior was confirmed by comparison of the X-ray diffractometry and FT-IR spectroscopy of the racemate and pure enantiomer. All hydrogen halide salts presented racemic compound behavior. Heat of fusion of halides salt of (rac)-medetomidine decreased with ionic radius increase. Eutectic points for Med.HCl (previously reported), Med.HBr, and Med.HI rest were unchanged approximately. The solubility of different enantiomeric mixtures of Med.HBr and Med.HI were measured at 10, 20, and 30°C in 2-propanol showing a solubility increase with ionic radius. A binary phase diagram of Med.Ox shows a racemic conglomerate behavior. The solubility of enantiomeric mixtures of Med.Ox were measured at 10, 20, 30, and 40°C. The ternary phase diagram of Med.Ox in ethanol conforms to a conglomerate crystal forming system, favoring its enantiomeric purification by preferential crystallization.

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Section: Resultssupporting

confidence: 86%

Section: Resultsmentioning

confidence: 80%

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Anion Effect on the Binary and Ternary Phase Diagrams of Chiral Medetomidine Salts and Conglomerate Crystal Formation

2014

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“…Before the tests, the instrument calibration was verified using a sample of calcium oxalate monohydrate according to ASTM norms. 1 H NMR, 13 C NMR and 2D NMR spectra were recorded employing a Bruker Avance 400 MHz instrument with D 2 O as the solvent. The Fourier transformed infrared spectra were recorded using the attenuated total reflectance (ATR) technique on a PerkinElmer Universal spectrometer at room temperature.…”

Section: Methodsmentioning

confidence: 99%

“…The racemic species of the halide salts, as well as the oxalate salts of medetomidine, were studied by melting point, infrared spectroscopy and thermal analysis [12]. The binary and ternary phase diagrams of medetomidine hydrochloride are also known [13].…”

Section: Introductionmentioning

confidence: 99%

Physicochemical characterization and decomposition kinetics of (S)-4-[1-(2,3-dimethylphenyl)ethyl]-3H-imidazole HCl/S-enantiomer of medetomidineHCl

Pansuriya

Maguire

Friedrich

2015

J Therm Anal Calorim

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Physicochemical characterization of (S)-4-[1-(2,3-dimethylphenyl)ethyl]-3H-imidazole HCl in solution as well as the solid state has been done using single-crystal X-ray crystallography, 1 H and 13 C NMR, IR and mass spectrometry. The single-crystal structure, as well as Hirshfeld surface analysis, of the S-enantiomer is compared with the racemate, as well as the polymorph of the racemate. The decomposition kinetics of the S-enantiomer have been studied using thermogravimetric analysis and a differential scanning calorimetric investigation. The study was done to contribute to understanding the properties of the drug at a molecular level, thus providing tools to develop novel formulations of the drug.

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Prediction and experimental determination of the binary and ternary phase diagrams of (±)medetomidine hydrochloride

Cited by 2 publications

References 25 publications

Anion Effect on the Binary and Ternary Phase Diagrams of Chiral Medetomidine Salts and Conglomerate Crystal Formation

Anion Effect on the Binary and Ternary Phase Diagrams of Chiral Medetomidine Salts and Conglomerate Crystal Formation

Physicochemical characterization and decomposition kinetics of (S)-4-[1-(2,3-dimethylphenyl)ethyl]-3H-imidazole HCl/S-enantiomer of medetomidineHCl

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