• Title/Summary/Keyword: Monohydrate

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The Crystal and Molecular Structure of Niclosamide monohydrate, $C_{13}H_8Cl_2N_2O_4\cdotH_2O$ (Niclosamide monohydrate, $C_{13}H_8Cl_2N_2O_4\cdotH_2O$의 결정 및 분자구조)

  • 김의성;신현소
    • Korean Journal of Crystallography
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    • v.4 no.1
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    • pp.1-5
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    • 1993
  • The crystal structure of N-(2'-chloro-4'-vitrophenyl)-5-chlorosalicylamide( Niclosamide ) monohydrate has been determined from 1976 sig- nificant independent reflections collected on an automated CAD4 diffractometer using graphitemonochromated Mo-Ka radiation. The crystal is monoclinic, space group P211c, with unit cell dimensions, a=11.331 (3), b=16.964(2), c=7.347(4)A , P =98.20(3)° and Z=4 at T=293k. The structure was solved by direct method using seminvariants of ggg Parity group and refined by the full-matrix least-square method, resulting model with reliability factor, R=0.046. The feature of the molecule show planar structure in parallel to the ab crystal plane.

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New Crystal form of Valsartan Dipotassium Salt (발사르탄 이칼륨염의 신규 결정형)

  • Seo, Sung-Ki;Kim, Dae-Duk;Oh, Eui-Chaul
    • Journal of Pharmaceutical Investigation
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    • v.39 no.3
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    • pp.173-176
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    • 2009
  • A new crystal form of valsartan dipotassium was isolated by recrystallization using the one-pot method. The new crystal form was identified as a monohydrate form ($C_{24}H_{27}N_5O_3K_2.H_2O$) and characterized by diffential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and X-ray powder diffractometry (PXRD). The new crystal data demonstrated to be clearly different from those known for the tetrahydrate form ($C_{24}H_{27}N_5O_3K_2.4H_2O$). It was observed that the monohydrate of vasartan dipotassium salt was completely dissolved in water within 1 hour and its dissolution rate was much faster than anhydrous free form of valsartan.

2,4,6-Triamino-1,3,5-triazin-1-ium Acetate Acetic Acid Solvate Monohydrate. Infrared and Raman Spectra

  • Marchewka, M.K.
    • Bulletin of the Korean Chemical Society
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    • v.25 no.4
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    • pp.466-470
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    • 2004
  • The crystals of the new melaminium salt, i.e. melaminium acetate acetic acid solvate monohydrate, $C_3H_7N_6^+ {\cdot}CH_3COO^- {\cdot}CH_3COOH{\cdot}H_2O$, were obtained by the slow evaporation of an aqueous solution at room temperature. Powder infrared and Raman spectra were measured and interpreted. The vibrational spectra in the region of internal vibrations of ions corroborate structural data recently published by Perpetuo and Janczak.$^1$ Some spectral features of this new crystal are referred to corresponding one for melamine crystal as well as other melamine complexes in crystalline form. Hydrogen-bonded network present in the crystal gives notable vibrational effect.

The Effects of Pseudopolymorphism on the Relative Bioavailability of Amoxicillin (결정다형이 아목시실린의 상대적 생체이용률에 미치는 영향)

  • 손영택
    • YAKHAK HOEJI
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    • v.39 no.4
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    • pp.438-443
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    • 1995
  • Four different pseudopolymorphs of amoxicillin-trihydrate, dehydrate, monohydrate and anhydratewere prepared and characterized by UV spectrophotometry, DSC, and TGA. In vitro dissolution studies of four pseudopolymorphs were carried out in pH 6.8 phosphate buffer at $37^{\circ}C$ by means of a rotating disk method. The effect of four pseudopolymorphs on bioavauability of amoxicillin was studied in healthy 6 subjects using urinary excretion method. The dissolution result was shown in the sequence, trihydrate(95.5%)>monohydrate(83.5%)>anhydrate(67.6%)>dihydrate(15.8%). The urinary excretion rate of anhydrate could not be detected and the dissolution results agreed well with in vivo phannacoldnetic study results. The effects of storage conditions, milling and compression on the pseudopolymorpnc transformation were investigated by thermal methods. The results showed that four pseudopolymorphs were not transformed and they were very stable.

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Synthesis and Structural Analysis of the Diaquabis(ethylenediamine)nickel(II) Bis(p-toluenesulfonate) Monohydrate (Diaquabis(ethylenediamine)nickel(II) Bis(p-toluenesulfonate) Monohydrate 층상 화합물의 합성과 구조 분석)

  • Kim, Chong-Hyeak;Lee, Sueg-Geun
    • Analytical Science and Technology
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    • v.15 no.3
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    • pp.317-320
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    • 2002
  • The layer structure of the title compound, $[Ni(en)_2(H_2O)_2](CH_3C_6H_4SO_3)_2(H_2O)$ (en = ethylenediamine), consists of discrete cations, anions, and solvate water molecules linked by a hydrogen bonding network. The central Ni atom of the cation layer has a slightly distorted octahedral coordination geometry with the ethylenediamine ligands functioning as a N,N'-bidentate and the water ligands bonding through oxygen in a trans arrangement. The p-toluenesulfonate of the anion layer has an alternate sulfonate group directed toward opposite side of the cation layer. This layer structure is stabilized by a hydrogen bond involving the O atoms of the sulfonate, the water ligand, solvate water molecule, and the N atoms of the ethylenediamine.

An Efficient Synthesis of Alkoxyallylthiopyridazine Derivatives from Maleic Anhydrides (Maleic Anhydrides로부터 Alkoxyallylthiopyridazines 유도체의 효과적 합성)

  • Lee, Jae-In;Yun, Young-Sook
    • Journal of the Korean Chemical Society
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    • v.48 no.6
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    • pp.609-615
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    • 2004
  • Alkoxyallylthiopyridazine derivatives which exhibit superior effect for the treatment of hepatic diseases were synthesized from maleic anhydrides. The reaction of maleic anhydrides with hydrazine monohydrate in aq HCl at reflux afforded dihydroxypyridazines, which were transformed to dichloropyridazines with phosphorus oxychloride. The substitution of the first chlorine atom in dichloropyridazines proceeded selectively with alcoholic sodium alkoxides in THF to afford alkoxychloropyridazines, which were converted to alkoxyallylthiopyridazines with lithium 2-propene-1-thiolate in high yields.

Crystal Form of Olmutinib

  • Lee, Chang-Yeob;Sohn, Young-Taek
    • Journal of the Korean Chemical Society
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    • v.63 no.1
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    • pp.7-11
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    • 2019
  • Olmutinib, N-[3-({2-[4-(4-methylpiperazine-1-yl)aniline]thieno[3,2-d]Pyrimidin-4-yl}oxy)phenyl]prop-2-enamide dihydrochloride monohydrate, $Olita^{TM}$ is an oral, third-generation epidermal growth factor receptor tyrosine kinase inhibitor (EGFR TKI) that was developed by Boehringer Ingelheim and Hanmi Pharmaceutical Co. Ltd for the treatment of non-small cell lung cancer (NSCLC). The aim of this work was to investigate the existence of polymorphs and pseudopolymorphs of olmutinib. Three crystal forms of olmutinib have been isolated by recrystallization and characterized by differential scanning calorimetry (DSC), thermogravimetric (TG) analysis and powder X-ray diffractometry (PXRD). From the DSC and TG data it was confirmed that Form 1 is monohydrate, Form 2 is dihydrate, Form 3 is 1.5 hydrate. The PXRD patterns of three crystal forms were different respectively. After storage of 1 month at $2^{\circ}C$, 24% RH (Relative Humidity), Form 1, Form 2, and Form 3 were not transformed.