Chemical names and structures

The chemical name and structure of trifluralin and the eight metabolites used in this study are given in Table I. All nine compounds had a chemical purity greater than 98.7% and the [leering] trifluralin (specific activity 45.25 uCi/mg) had a radio purity greater than 97%. 

Description Proprietary and estabhshed name of drug dosage form ingredients chemical name and structural formula... 

Table 2 Chemical names and structures of the multifunctional peroxides studied...

Chemical weed control technology has progressed greatly during the past 30 years. The discovery of new classes of highly selective, effective, safe and relatively inexpensive herbicides helped revolutionize modern weed control. In the United States herbicides are used on more than 80 million hectares of crop and noncrop lands for control of numerous species of weeds, and more than 50% of the total crop land was treated with herbicides in 1988. Chemical names and structures for most of the herbicides discussed in this paper are given in Table 1. Most weeds are... 

Table 1. Common and chemical names, and structures of some important ethylene-releasing chemicals...

The tradenames, chemical names, and structures for the commercial thiolcarbamates are depicted in Chart 2. 

As already mentioned (Section 5.3), the stored structure information in this type of database makes it possible to search for chemical structures in several ways. One method is to draw a structure (via a molecule editor) and to perform either a precise structure search (full structure search) or a search containing part of the input structure (substructure search) (see Sections 6.2-6.4). The databases also allow the searching of chemical names and molecular formulas (see Section 6.1). The search results are in most cases displayed in a graphical manner. 

Thus, the conversion of chemical names into structures consists of parsing the name into longest text fragments. These fragments are submitted to lexical analysis and the derived lexical units are compared with a collection of predefined units in a dictionary. 

Chemical Designation - A list of common synonyms is given. Synonym names are alternative systematic chemical names and commonly used trivial names for chemicals. An index of synonyms is provided at the end of the handbook to assist the reader in identifying a particular chemical and researching chemical hazards information in the event that the common name of the chemical is not known. The data field also contains the chemical formula. The chemical formula is limited to a commonly used one-line formula. In the case of some organic chemical compounds it has not been possible to represent the chemical structure within such limitation. 

Chemists use both chemical names and molecular pictures to describe molecules. Molecular pictures take several forms, including structural formulas, ball-and-stick models, space-filling models, and line structures. These molecular representations can help you improve your ability to think molecules. ... 

The ester you produced has the common name oil of wintergreen. Write a chemical equation using names and structural formulas for the reaction that produced the ester. 

The CALL facility allows the expert system to access software external to the LISP program. Included with the CALL is the name of a LISP function which handles the outside software. In the case of the fact CHEMICAL NAME, the LISP function executes a FORTRAN program which allows the user to either retrieve the structure of a previously entered compound or enter a new one. The program also breaks the chemical structure into its functional groups. When the FORTRAN program terminates, the LISP function updates the list of facts, and inserts the name into CHEMICAL NAME and the functional groups into FUNCT GROUPS. These FACTS are then available to the expert system. In this way, access to outside software is completely data driven. 

Although most of us recognized that the Army grapevine, like the Internet today, was basically unmanageable, we were obliged to withhold the code names and structures of classified chemical agents. Contrary to what some writers have asserted, however, our doctors described and truthfully answered questions... 

The formula, which contains (among other things) an aromatic and an oligocyclic moiety, is so complicated that a chemist who is not an expert in nomenclature cannot determine the chemical name. The structural formula is C23H25O7 ... 

Our solution to this problem was the development of an interactive computer system that can be used by all professionals in the company to locate and manipulate chemical information. This system is called MAECIS, an acronymn for Management and Analysis Executive for Chemical Information and Structures. As the name implies, MAECIS is both a chemical information storage system and a chemical structure analysis system. 

Common examples of carbon compounds include carbon dioxide (CO2, exhaled when we breathe), table sugar (Cj2H220j2), chalk (CaCOg), and natural gas (mostly CH ). Because there are so many different carbon compounds in nature, it is impossible to learn the name of each one. Instead, groups of carbon compounds are named according to their chemical makeup and structural characteristics. 

Figure 11.6.2 (above and at right) Common name, chemical name, and chemical structure of soy isoflavones. 

To obtain useful information on chemical (including biochemical) compounds from ChemFinder at http //www.chemfinder.com, enter the compound name and click Search. The server returns with synonymous names, chemical formula and structure, and onsite information, as well as links for further biochemical information. The structure can be saved in. cdx format (ChemDraw) and viewed with Chem3D. 

Figure 7.5. Search enzyme information at Brenda. Brenda is the comprehensive enzyme database for retrieving chemical, kinetic, and structural properties of enzymes via EC number, enzyme name, and organism (biological source). The search page by EC number is shown.

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. 

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