Toxicity data

BioPrint also includes a small animal toxicity data set. Blood chemistry and organ toxicity data have been gathered for more than 200 compounds. 

Similarity, Chemotypes - What Is a Biologically Relevant Descriptor  

As illustrated in the next section, the use of biological fingerprints, such as from a BioPrint profile, provides a way to characterize, differentiate and cluster compounds that is more relevant in terms ofthe biological activity of the compounds. The data also show that different in silico descriptors based on the chemical structure can produce quite different results. Thus, the selection of the in silico descriptor to be used, which can range from structural fragments (e.g. MACCS keys), through structural motifs (Daylight keys) to pharmacophore/shape keys (based on both the 2D structure via connectivity and from actual 3D conformations), is very important and some form of validation for the problem at hand should be performed. 

Using Biological Fingerprints as a Meaningful Descriptor for Drug Leads and Candidates 

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Table 11. Toxicity Data for Brominated Additive Flame Retardants...

Table 13. Toxicity Data for Chlorinated Flame Retardants and Intermediates ...

No toxicity data have been reported on the other halogen fluorides, but all should be regarded as highly toxic and extremely irritating to all living... 

The only reported toxicity data on zinc fluoride in the NIOSH RTECS file is a LD q of 280 mg/kg for subcutaneous adniinistration in frogs. 

FLUOROTRIAZINES Riag-fluoriaated triaziaes are used ia fiber-reactive dyes. Perfluoroalkyl triaziaes are offered commercially as mass spectral markers and have been iatensively evaluated for elastomer and hydraulic fluid appHcations. Physical properties of representative fluorotriaziaes are listed ia Table 13. Toxicity data are available. For cyanuric fluoride, LD g =3.1 ppm for 4 h (iahalatioa, rat) and 160 mg/kg (skin, rabbit) (127). 

Toxicity. Acute toxicity data for neopentyl glycol (1) are reported in Table 2. 

Toxicity. Acute toxicity data are reported ia Table 2 (11). 

Eastman Chemical Co., BASF, Mitsubishi Gas, and Union Carbide are manufacturers of this glycol. The U.S. price in June 1993 was 2.97/kg. Toxicity. Acute toxicity data for (9) appear in Table 2. 

The toxicity data for 24-epibrassiaohde and the low dose at which it ehcits growth regulatory responses ia plants makes it appealing for agronomic and horticultural use. 

The compound is relatively nontoxic. Because many golf courses and recreational grassy areas abut lakes and ponds that are used for fishing, the environmental toxicity data are important. The LC q for trout (96 h) is 80 mg/L for bluegiU. (96 h), 36 mg/L and for Daphnia, 64 mg/L. 

RTECS National Institute for Occupational Safety and Health (NIOSH) registry of toxic effects of chemical substances contains toxicity data and references commercially important substances... 

Knowledge chemical names, physical and toxicity data, therapeutic and... 

Diketones can be prepared by oxidation of the corresponding monoketone (287) or a-hydroxyketone (288). 1,2-Diketones are used extensively as intermediates in the preparation of pharmaceuticals, flavors, and fragrances. Toxicity data for selected diketones are shown in Table 11. 

Table 20. Toxicity Data for Select Manganese Compounds ...

Table 1. Physical Properties and Toxicity Data of Nitro Alcohols ...

T. Cairns and J. Sherma, eds.. Comprehensive Analytical Profiles of Important Pesticides, CRC Press, Boca Raton, Fla., 1992, 304 pp. From the series ModemMethods for Pesticide Analysis, provides detailed information on properties and analytical methodology for nine prominent pesticides, pyrethroids, and fumigants in food. Includes formulations and uses, chemical and physical properties, toxicity data, and tolerances on various foods and feeds. Analytical information may be given in enough detail for methods to be carried out without having to consult additional Hterature sources. 

The effect of pyrogaHol on algae has also been studied (27). Acute toxicity data include oral LD q (rat) = 789 mg/kg, intraperitoneal LD3Q (mouse) = 400 mg/kg, and oral LD q (rabbit) = 1600 mg/kg (28). 

Health and Safety Factors. Phloroglucinol has low toxicity by ingestion. Prolonged severe overexposure may dismpt the thyroid function. High dust concentration may cause respiratory irritation the product is irritating to eyes and skin. Toxicity data include LD q oral (rat) = 5800 mg/kg ... 

Toxicity Data for Aromox Amine Oxides, Buk. 68, Armak Co. 

AH of the toxicity data on MDA have been collected using either 4,4 -MDA or the corresponding hydrochloride salt. The information discussed in this section can also be used for commercial products containing MDA or PMDA. Because MDA is a potentially ha2ardous chemical, worker exposure should be kept to a minimum. For complete health and safety information on MDA consult references 46 and 56—59. 

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