Nomenclature Chemical Registry System

Vander Stouw, G.G., Gustafson, C., Rule, J.D., Watson, C.E. The Chemical Abstracts Service Chemical Registry System. IV. Use of the Registry System to Support the Preparation of Index Nomenclature . J. Chem. Inf. Comput. Sci. 1976,16, 213-218. 

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. 

CAS achievements especially relevant to substance information include systematic chemical nomenclature and indexing concise numerical substance identification embodied in CAS Registry Numbers the computer-readable connection tables employed by the CAS Chemical Registry System the... 

Structure and Nomenclature Search System. This system links the collection of chemical databases found in the Chemical Information System (CIS), one of the first interactive systems for stmcture and substmcture searching. References from the separate files can be retrieved by SANSS using CAS Registry Numbers, and the database of stmctures may be searched for stmctures or substmctures. An adaptation of the SANSS software for substmcture searching has been incorporated in the Dmg Information System of the National Cancer Institute for its own use (54). 

The CAS Registry System contains not only the Registry File for structural data, but also the Nomenclature File, containing CA index names and synonyms, which may be other systematic names, common names, trade names, etc. (see Nomenclature Searching and Nomenclature Automatic Generation and Conversion) Currency, there are over 24 million chemical names in the Registry System. 

A prominent example of a structure database (see Structure Databases) is the REGISTRY File offered by the host STN. This database contains both structure and nomenclature from the Registry System. This file is searched using the Messenger software developed by Chemical Abstracts Service, which provides both identity, full structure, and substructure searching as well as nomenclature searching (see Chemical Abstracts Service Information System). Structure queries are entered as structure diagrams created with text... 

BRCT = Beilstein Registry Connection Table BRN = Beilstein Registry Number CAS = Chemical Abstracts Service CNOC = Commission on the Nomenclature of Organic Chemistry CT = connection table ICRS = Index Chemicus Registry System ISI = Institute for Scientific Information RN = CAS Registry Number SCN = Structure Code Number SSSR = smallest set of smallest rings WLN = Wiswesser Line-formula Notation. 

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. 

Some of the rigidly systematic names selected by the Association for Science Education for their nomenclature list in 1985 from the IUPAC possibilities, and some of the systematic indexing names used by Chemical Abstracts since 1972, are given as synonyms in the Index of Chemical Names (Appendix 4). This should assist those coming into industry and research with a command of those nomenclature systems but who may be unfamiliar with the current variety of names used for chemicals. The inclusion where possible of the CAS Registry Number for each title compound should now simplify the clarification of any chemical name or synonym problems, by reference to the Registry Handbook or other CAS source. 

Important as names are. they cannot serve all purposes, There are other, complementary means of identifying chemical compounds, e.g., structural formulas, notation systems, and registry numbers. None of these are nomenclature, however. 

Both common and systematic names of compounds are used throughout this volume, depending on which the Editor-in-Chief felt was more appropriate. Preparations appear in alphabetical order of titles of the synthetic procedures. The Chemical Abstracts indexing name for each title compound, if it differs from the title name, is given as a subtitle. Systematic Chemical Abstracts nomenclature, used in both the 8th and 9th Collective Indexes for the title compound and a selection of other compounds mentioned in the procedure, is provided in an appendix at the end of each preparation. Registry numbers, which are useful in computer searching and identification, are also provided in these appendixes. Whenever two names are concurrently in use and one name is the correct Chemical Abstracts name, that name is adopted. For example, both diethyl ether and ethyl ether are normally used. Since ethyl ether is the established Chemical Abstracts name for the 8th Collective Index, it has been used in this volume. The 9th Collective Index name is 1, l -oxybisethane, which the Editors consider too cumbersome. The prefix -is deleted from M-alkanes and n-alkyls. All reported dimensions are now expressed in Systeme International units. 

CAS = Chemical Abstracts Services DOT/UN/NA/IMCO = Department of Transportation/United Nations/North America/International Maritime Dangerous Goods Code EPA = Environmental Protection Agency HSDB = Hazardous Substances Data Bank NCI = National Cancer Institute NIOSH = National Institute for Occupational Safety and Health OHM/TADS = Oi1 and Hazardous Materials/Technical Assistance Data System RTECS = Registry of Toxic Effects of Chemicals Substances SANSS = Structure and Nomenclature Search System... 

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