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Sample records for acetophenetidin

  1. Validation of the U.S. Army’s Current Hazardous Waste Data

    Science.gov (United States)

    1990-04-01

    100 RATIO OF TOTAL SCORE TO POSSIBLE SCORE. I Z I 44 APPENDIX E: CARCINOGEN LIST Acetamide Acetophenetidin Acrylamide Acrylonitrile Actinomycin D... Carcinogen List 45 APPENDIX F: Priority Pollutants 48 APPENDIX G: Prioritization Example 52 DISTRIBUTION Acoession For NTIS GRA&I DTIC TAB Q Unannounced...Restoration Program (IRP) sites and the resulting exposure to humans and the environment rather than the materials themselves RCRA 3002 (b) requires that

  2. Towards an understanding of the molecular mechanism of solvation of drug molecules: a thermodynamic approach by crystal lattice energy, sublimation, and solubility exemplified by paracetamol, acetanilide, and phenacetin.

    Science.gov (United States)

    Perlovich, German L; Volkova, Tatyana V; Bauer-Brandl, Annette

    2006-10-01

    Temperature dependencies of saturated vapor pressure for the monoclinic modification of paracetamol (acetaminophen), acetanilide, and phenacetin (acetophenetidin) were measured and thermodynamic functions of sublimation calculated (paracetamol: DeltaGsub298=60.0 kJ/mol; DeltaHsub298=117.9+/-0.7 kJ/mol; DeltaSsub298=190+/-2 J/mol.K; acetanilide: DeltaGsub298=40.5 kJ/mol; DeltaHsub298=99.8+/-0.8 kJ/mol; DeltaSsub298=197+/-2 J/mol.K; phenacetin: DeltaGsub298=52.3 kJ/mol; DeltaHsub298=121.8+/-0.7 kJ/mol; DeltaSsub298=226+/-2 J/mol.K). Analysis of packing energies based on geometry optimization of molecules in the crystal lattices using diffraction data and the program Dmol3 was carried out. Parameters analyzed were: (a) energetic contribution of van der Waals forces and hydrogen bonding to the total packing energy; (b) contributions of fragments of the molecules to the packing energy. The fraction of hydrogen bond energy in the packing energy increases as: phenacetin (17.5%)Enthalpies of evaporation were estimated from enthalpies of sublimation and fusion. Activity coefficients of the drugs in n-octanol were calculated from cryoscopic data and by estimation of dilution enthalpy obtained from solubility and calorimetric experiments (for infinite dissolution). Solubility temperature dependencies in n-octanol and n-hexane were measured. The thermodynamic functions of solubility and solvation processes were deduced. Specific and nonspecific solvation terms were distinguished using the transfer from the "inert" n-hexane to the other solvents. The transfer of the molecules from water to n-octanol is enthalpy driven for paracetamol; for acetanilide and phenacetin, entropy driven.

  3. 相转移催化合成药物有机中间体乙氧基苯的研究%Study on synthesis of drug and organic intermediate of ethoxybenzene by phase transfer catalytic method

    Institute of Scientific and Technical Information of China (English)

    舒学军; 孙青; 扬龙; 王波; 殷旭光; 陈茹冰

    2012-01-01

    Ethoxybenzene is an important organic chemical intermediate. It is applied widely in synthesis of pesticide,dye,chemical reagents,and drugs such as acetophenetidin,hydrogen cortisone and acetate prednisone. In this research we used different catalysts to synthesize ethoxybenzene by phase transfer catalytic method. Ethoxybenzene was synthesized using phenol and diethyl sulfate in toluene in the presence of sodium hydrate,by using different phase transfer catalysts. The product's yield was over 90% under the reaction temperature of 60 ℃ and the reaction time of 3. 0h. The different catalysts usages and reaction times were optimized and discussed,and the product's IR spectra,NMR spectra had been characterized and discussed in detail.%乙氧基苯是一种重要的有机合成中间体,应用于农药、染料、化学试剂,药品如非那西丁、氢化可的松、醋酸泼尼松等的合成,本文研究了利用相转移催化反应在不同的催化剂反应条件下,合成中间体乙氧基苯,在氢氧化钠存在下,苯酚与硫酸二乙酯于60-65℃反应3h条件下合成乙氧基苯,产品产率达90%以上.对不同的催化剂的使用和反应时间进行了条件优化,对产品乙氧基苯的IR谱图、NMR谱图进行了确认和详细的分析.

  4. Metabolism and enzyme kinetics of five anthraquinones in rhubarb in rat liver microsomes%大黄5种蒽醌类成分在大鼠肝微粒体中的代谢及酶促反应动力学

    Institute of Scientific and Technical Information of China (English)

    冯素香; 王蒙蒙; 吴兆宇; 李先; 郝蕊; 徐艳华

    2015-01-01

    To study the metabolic kinetics of anthraquinones in rhubarb and participate in the metabo-lism of cytochrome P450 isoforms in rat liver microsomal enzyme.Rat liver microsomes were prepared by using ultra-centrifugation method.anthraquinones in rat concentration in the incubation pool was deter-mined by RP-HPLC method.The Michaelis-Menten parameters Km and Vmax in rat liver microsomes were initially estimated by analyzing Lineweave-Brurk plot.The clearance (Clint )was calculated for in vitro enzyme to anthraquinones in rhubarb.Various selective CYP inhibitors were used to investigate their in-hibitory effects on the metabolism of anthraquinones in rhubarb and the principal CYP isoforms involved in anthraquinones in rhubarb metabolic ring.The Km,Vmax,and CLint of aloe emodin,rhein,emodin, chrysophanol,and physcion were(18.97 ±1.89),(2.50 ±0.11),(15.68 ±1.09),(183.41 ±1.90), (1.37 ±0.14)mg·L -1;(0.52 ±0.015),(0.066 ±0.003),(0.41 ±0.009),(5.22 ±0.09),(0.036 ±0.0034)mg·L -1 ·min -1;(2.69 ±0.12),(2.56 ±0.16),(2.61 ±0.20),(2.81 ±0.10),(2.63 ±0.18)min -1 ·10 -2 .After the induction of DEX,PB,β-NF,the anthraquinones in rhubarb metabolic rate of PB group and DEX group were higher than that of CMC-Na group,with a significant difference (P 0.05),both acetophenetidine,fonazole and ketoconazole's Dixon diagram were linears intersects the second quadrant.After induced by PB,DEX,the metabolism of anthraquinones in rhubarb were increase in rat liver microsomes.It was shown that CYP3A4 and CYP2A6 are involved in the metabolism of anthra-quinones in rhubarb,Both Acetophenetidine,Fluconazole and Ketoconazole were competitive inhibitors of anthraquinones in rhubarb.%研究大黄5种蒽醌类成分在大鼠肝微粒体中的代谢特征和参与代谢的细胞色素 P450亚型.超速离心法制备大鼠肝微粒体,采用反相高效液相色谱(RP-HPLC)测定孵育液中大黄5种蒽醌类成分的质量浓度,研究大黄蒽醌类成分的酶促动力