Locating isotopically labeled compounds
Suppose you are interested in locating information about the different molecules containing deuterated aspirin.
What is the best way to do this with SciFinder?
Use these SciFinder features to locate deuterated aspirin molecules:
- Explore by Chemical Structure
- Refine tool: isotope-containing substances
To retrieve the deuterated molecules, you first need to create a structure diagram of the parent.
You can follow one of two pathways to create this structure diagram:
1. Draw the structure diagram yourself. To do this, click Explore.
Click the Chemical Structure option under Explore Substances.
Draw the structure diagram of aspirin. Click Get Substances to retrieve molecules containing aspirin.
2. Dont know the parent structure? No problem. With the NEW quick search feature of SciFinder 2007, you can use an existing molecule as a model. Click Locate to retrieve the substance diagram of aspirin from the CAS RegistrySM record.
Click the Substance Identifier option under Locate Substances.
Type the common name aspirin as the substance identifier.
SciFinder presents the CAS Registry record for aspirin including its structure diagram.
The NEW "quick search" feature offered by SciFinder 2007 allows you to import structure images from the CAS Registry record. Click on the structure diagram and a pop-up window appears with additional options. Select the Explore by Chemical Structure option.
SciFinder quickly places the model structure diagram from Registry into Explore by Chemical Structure. Click Get Substances.
Select the Exact Search option. Click OK.
SciFinder locates substances that contain the structure diagram of aspirin (highlighted in red). To obtain just the isotope-containing substances, click the Analyze/Refine button.
Select Refine and click the Isotope-Containing Substances filter.
Since you want to locate all compounds of deuterated aspirin, select the first option and click OK.
SciFinder presents 21 isotope-containing varieties of aspirin. Note that C11, C14, and tritium isotopes are included. Since you want only compounds with deuterium, select the relevant compounds (in this example, there are 9). Click the Tools menu and select the Keep Substances option to save the 9 compounds containing deuterated aspirin.
Click Get References to view all the references linked to these 9 deuterated substances
You want to view all references linked to the 9 deuterium-containing substances.
You can now view a list of document references (in this example, there are 8) linked to the deuterated substances you selected. Choose a reference of interest, click the Microscope icon for article details.
The Microscope icon presents bibliographic details, the abstract, and intellectually-generated indexing terms.
Scroll down the document record and you will see the structure image of your substance of interest. Obtain additional information by clicking
- the CAS Registry Numbers of compounds mentioned in the reference
- links to citations
- the Get Related button
Click Get Related to view additional related references.
Retrieve additional article or patent references citing your original 8 records by clicking Citing References.
SciFinder presents records citing your original references. Click the Document icon to link to the electronic full text of the selected article via the ChemPort® Connection.
ChemPort shows you that a PDF of the article is available from the publisher Los Alamos National Laboratory. Click the link.
You can skim through the article of interest now or download it for a more comprehensive reading later.
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Updated 4/26/2007 2:06:03 PM
