Determination of 1-benzo[b]thien-2-ylethanone and related impurities by high performance liquid chromatography

Shada, D.M.; Wong, Chun F.; Elrod, Jr. Lee; Morley, James A.

doi:10.1016/0731-7085(95)01650-3

Cited by 2 publications

(4 citation statements)

References 18 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Some hypotheses can be a priori rejected. At least two co-occurring compounds ( 21 and 22) are nonpolar, and their low solubility in polar solvents does not fit the experimental conditions used for determining impurities in 2-acetylbenzothiophene …”

Section: Resultsmentioning

confidence: 99%

“…The articles on metal and gases were omitted. The actual sample contained 14 articles [17][18][19][20][21][22][23][24][25][26][27][28][29][30] covering 17 organic products (main components) and 67 impurities in them as a whole. These products are drugs (oxiracetam, 17 alevodopa and carbidopa, 18 almokalant, 20 ciprofloxacin, 21 tetracycline, 23 isosorbide 5-mononitrate, 24 ropinirole, 25 acetylsalicylic and ascorbic acids, 26 paracetamol, 26 nevirapine, 27 oxytetracycline, 28 and sildenafil); 30 a pharmaceutical synthetic precursor (2-acetylbenzothiophene); 22 a contrast enhancing agent for magnetic resonance (mangafodipir trisodium); 29 and a pesticide (chlortoluron).…”

Section: Methodsmentioning

confidence: 99%

“…Most co-occurrences can be explained by a few general reasons (Table 3). According to this classification, the articles [17][18][19][20][21][22][23][24][25][26][27][28][29][30] and other publications on determination of impurities in chemical products refer to pairs consisting of a main component and an impurity as constituents of the same "sample/mixture/solution/matrix" (Table 3). However, such analytical articles are rather few.…”

Section: Differences In Occurrence and Co-occurrence Ratesmentioning

confidence: 99%

“…In this article, the approach of setting up identification hypotheses based on co-occurrence data will be tested for (a) a greater number of matrices and (b) a longer time covered by the full Chemical Abstracts Service (CAS) database. Co-occurrence of organic impurities determined in 17 chemical/pharmaceutical products [17][18][19][20][21][22][23][24][25][26][27][28][29][30] with these particular matrix compounds vs co-occurrence rates for several reference compound groups is studied. These data are used for the reverse prediction of the impurity composition of these chemical products.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Literature-Based Generation of Hypotheses on Chemical Composition Using Database Co-occurrence of Chemical Compounds

Milman

2005

J. Chem. Inf. Model.

View full text Add to dashboard Cite

Candidates for identification of unknown constituents in a sample to be chemically analyzed are hypothetical. It is proposed to generate these hypotheses according to the co-occurrence of different chemical compounds with a known sample constituent in the chemical literature. The efficiency of the co-occurrence approach for predicting chemical compositions was tested for 67 impurities in 17 chemical/pharmaceutical products. The relative co-occurrence of impurity compounds and these products in the Chemical Abstracts Service database was evaluated and compared with corresponding values for several reference groups of probability sampled compounds from the literature. Almost all impurities (97%) and only < or = 8% randomly sampled compounds co-occurred with these chemical products. Mean and median values of relative co-occurrence for impurities are much higher than those of probability sampled compounds which co-occurred with the products. For the combination of impurities and the probability sample of 396 interfering compounds, the power to predict the chemical composition using the highest co-occurrences is 0.49-0.59. The co-occurrence value can also be considered as an "empiric" indicator of chemical similarity useful to generate new hypotheses on relationships both between compounds and between compounds and their properties.

show abstract

Section: Resultsmentioning

confidence: 99%