Molecular formula Registry File

Registry File. This CAS file contains more than 11.8 million chemical substance records. About 8,000—14,000 records are added each week as new substances are identified by the CAS Registry System. The substance records contain CAS Registry Numbers, chemical names, stmctures, molecular formulas, ring data biosequence information, and classes for polymers. AH of this information may be displayed. 

Answers from aH of these searches contain CAS Registry Numbers. Answer sets may be combined, using the Boolean operators AND, OR, or NOT, with other answer sets or with text terms, such as names or molecular formulas. Any answer set also may be used to define subsets of the file for subsequent stmcture searching. Answer sets of up to 10,000 Registry Numbers from any type of search in this file may also be used as search terms in other files, such as the CA or CAOLD files (53). 

It is not necessary to build stmctures to use the Registry File. Compounds can also be searched for by using names, combinations of name fragments. Registry Numbers, molecular formulas, and in other ways. The display methods are the same. 

ChemIDplus. Published by the U.S. National Library of Medicine, ChemIDplus [62] is a web-based search system, http //chem.sis.nlm.nih.gov/ chemidplus/, that provides free access to structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases. ChemIDplus also provides structure searching and direct links to biomedical resources at NLM and on the Internet. The database contains over 349,000 chemical records, over 56,000 of which include chemical structures, and is searchable by name, synonym, CAS registry number, molecular formula, classification code, locator code, and structure. 

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... 

CAS ONLINE is Chemical Abstracts Service s computerized system that provides access to substance information from the CAS registry file. CAS ONLINE allows users to search for substances on the basis of structural units, registry number, chemical name, or molecular formula. Portions of the CAS information base are licensed by several information vendors. 

CHEMSEARCH is a dictionary listing of the most recently cited substances in CA Search (File 4) and is a companion file to CHEMNAME (File 31). For each substance listed, the following information is provided CAS Registry Number, molecular formula, and CA Substance Index Names. CHEMSEARCH includes all new chemical substances cited in the latest six issues of Chemical Abstracts. Also included are additional chemical substance search terms generated specifically for all DIALOG chemical name dictionaries. Chemical substances already in CHEMNAME are not included. Only the... 

ChemIDplus (http //chem.sis.nlm.nih.gov/chemidplus) is a search engine which allows retrieval of about 380,000 chemical substance files. The structure-searchable database may include structure (263,000 structures available), official name, systematic name, other names, classification code (therapeutic use), molecular formula, STN locator code, and CAS registry number. Compounds are also searchable by toxicity data and physical properties. 

Eastman Kodak has many laboratories worldwide, all with their own information departments, but the Information and Computer Technology Division in Rochester, and in particular the Application and Data Resources Unit, is responsible for the 555,000 compounds in the Chemical Registry System (under both MACCS and CAS Registry System software). There are also on file 17000 reactions under REACCS, 190,000 reports and 65,000 patents in a photographic patents index. The Chemical Information Centre holds 1,100,000 index cards, half of them in accession number order and half in molecular formula sequence. 

This compound-oriented chemical dictionary file covers all compounds cited in the literature from 1972 to date. It may be searched by chemical name or fragment, by molecular formula or molecular formula fragment, or by group or row within the periodic chart. Each record contains a registry number, the molecular formula, and Chemical Abstract s rigorous nomenclature for a specific chemical. 

Associated with TOXLINE is the CHEMLINE file, which stands for Chemical Dictionary On Line. This file contains the CAS registry number, molecular formulas, and nomenclature for thousands of chemical substances. It can be used to identify names and synonyms of chemical substances that are often necessary as key words to search a data base. 

In order to facilitate the location of compounds in the table, an index to synonyms follows the main table. Indexes to Molecular Formulas and CAS Registry Numbers are available in the electronic versions of the Handbook or as pdf files by request via e-mail (william.haynes taylorandfrancis.com). 

Figure 2 illustrates the basic content of a Registry substance record. The substance is tetracycline. Included are the CAS Registry Number, the CA Index Name, some synonymous chemical names, the molecular formula, and a stereospecihc structural diagram. An integral part of the CAS Chemical Registry System is the Registry Nomenclature File which contains the CA Index Name, and other systematic, semisystematic, and common names encountered in the chemical literature. 

Additional search methods include using the trade name, chemical name, and molecular formula in the Registry File to start the search for a polymer Registry Number. The table gives a starting point for common polymers, but with over 700000 polymeric entries, it is impossible to list them all. 

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