Chemical Abstracts Service Formula

MARPAT, MARPAT Previews STN Chemical Abstracts Service international, chemistry stmcture-searchable Markush formulas in addition to other data searchable in the CA FUe, CAPlus, or CA Previews... 

Chemical Abstract Service Registry Number for a typical example of the sensitizer listed. See Figure 7 for some stmctural formulas. 

Further steps toward universality are taken by the replacement of element and compound names wherever possible by symbols and formulas, and by adding to data in older units their recalculated SI equivalents. The usefulness of the reference sections has been increased by giving journal-title abbreviations according to the Chemical Abstracts Service Source Index, by listing in each reference all of its authors and by accompanying references to patents and journals that may be difficult to access by their Chemical... 

Compounds are identified by an IUPAC approved name [93-ano-l], the empirical molecular formula, and the Chemical Abstracts Service Registry Number. A summary table is available for each compound which includes the reported temperature and density values, an assigned uncertainty for the density, the difference between the observed and smoothed density values and an index key to the source of the data. A complete list of references, identified by the index keys, appears at the end of the volume. 

For each selected PFC, a profile was edited including the name of the compound, its CAS (Chemical Abstracts Service) number and the SMILES (Simplified Molecular Input Line Entry System) formula. 

Correct chemical identity including molecular formula, Chemical Abstracts Service (CAS) Registry number, common synonyms, trade names, and a structural diagram. Gosselin et al. (1984) and Ash and Ash (1994, 1995) are excellent sources of information on existing commercial products, their components and uses ... 

Users can easily search the CD-ROM by employing the Aldrich catalog number, Chemical Abstracts Service (CAS) number, chemical name, or molecular formula. One can also export the chemical structures to some supported software for subsequent inclusion into word processing programs. The product is available from Aldrich Chemical Company, Inc., 940 West St. Paul Ave., Milwaukee, WI 54233. 

The Morgan algorithm 5> is a device used by the Chemical Abstracts Service for assigning indices to the nodes of constitutional formulas whose H-atoms have been omitted, i. e. their reduced graphs. If the indices of all atoms are needed, e.g. for the representation of stereochemistry, an additional procedure is needed for establishing those for the H-atoms. Constitutional symmetry is not indicated directly by Morgan indices. 

CAS CHEMICAL REGISTRY 8,000,000 compounds CHEMICAL ABSTRACTS SERVICE The world s largest file of substance information, including coordination compounds, polymers, incompletely defined substances, alloys, mixtures, and minerals. In each record, the registry number is linked to molecular structure diagram, molecular formula, CA index name, synonyms, and the ten most recent references in Chemical Abstracts. Easy crossover to the bibliographic file... 

Full details of the QSAR training set should be provided, including details of chemical structure (names and structural formulae, and chemical abstract service [CAS] numbers if available) and, in the case of a QSAR, data for all descriptor and response variables. If the data used to develop the model were based upon the processing of raw data (e.g., the averaging of replicate values), it is preferable if all of the raw data are supplied. 

The information on each chemical substance is concise and easy to understand. It includes the chemical name with CAS (Chemical Abstracts Service) number, the International Union of Pure and Applied Chemistry (lUPAC) name, molecular formula, synonyms and trade names, use and exposure, toxicity and health effects, whether it is carcinogenic, exposure limits, and methods of proper storage and disposal, with relevant references. Tables and appendices provide additional information. In certain chapters of this book, chemical substances are listed in alphabetical order to facilitate speedy and easy access for the reader the classifications of chemical substances are included separately. 

Military nerve agents are organophosphate componnds containing either a fluorine, sulfur, or cyanide substituent group (Dacre, 1984). GA contains a cyanide substituent group (VX contains a sulfur group and GB a fluorine group). The chemical synonyms. Chemical Abstract Service (CAS) and Army identification numbers (DA, 1974,1992 Dacre, 1984), and chemical formula for GA are as follows ... 

Registry Number, which is unique to each compound, is used to link the structure with names, references, and other information within the Chemical Abstracts Service Registry Number System. However, there is no way to generate a Registry Number from a given structure, and data on specific compounds can only be recovered by finding the Registry Number first. The first formula index to use these numbers will be that for vol. 71 (1969). 

The PMN must be presented at least 90 days before the production of the new substance. New substances presented with a PNM are added to the list only after a 90-day review period and after the producer has submitted the so-called Notice of Commencement (NOC) within 30 days of the start of production. The notifier is asked for the following information Chemical Abstracts Service (CAS) number, chemical name, structural and molecular formulas, trade name, spectral analysis, type and percentage of impurities, and use. Initially, no experimental data are requested but if valid data are available, they must be included. Existing chemicals (those already listed) can be classified and consequently handled based on criteria given by the Occupational Safety and Health Agency (OSHA) and the National Institute for Occupational Safety and Health (NIOSH). 

Freeland, R.G., Funk, S.A., O Kom, L.J. and Wilson, G.A. (1979). The Chemical Abstract Service Chemical Registry System. II. Augmented Connectivity Molecular Formula. J.Chem.Inf. ComputSci., 19, 94-98. 

Chemical Abstracts Service Registry Numbers CAS 464-48-2 and CAS 464-49-3 (optical isomers) CAS 21368-68-3 (racemic mixture) Synonyms Campho-phenique Musterole Ben-Gay children s vaporizing rub Vicks Vaporub Vicks Vaposteam Heet Sloan s Liniment Camphorated oil Camphor spirits Chemical/Pharmaceutical/Other Class Cyclic ketone of the hydroaromatic terpene group Chemical Formula CioHi O... 

Synonyms Pyrocatechol 4-(2-aminoethyl)pyro-catechol 3-hydroxytyramine 3,4-dihydroxyphen-ethylamine 4-(2-aminoethyl)-l,2-benzenediol Dopastat Intropin Chemical Formula CgHuNOa Representative Chemical Epinephrine Chemical Abstracts Service Registry Number CAS 51-43-4... 

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