Find Substances Using Search Terms and Chemical Structure

You may add a chemical structure to search field terms and/or Advanced Search Fields.

Note: If you enter both a search term query and a structure query, the search results must match both criteria (queries are joined by the logical AND).

For example, I'll enter the patent number WO2010071837 in the search field.

Next, I'll add some Advanced Search Fields:

Lastly, I'll click the Draw button and import the structure for pyrrolidine in CASDraw.

The value(s) in the search field are combined with the output of the Advanced Search Fields (operators are processed in OR/AND/NOT order) and then added to the chemical structure:

Search Field: WO2010071837


Advanced Search Fields:

NOT Median Lethal Dose (mg/kg): >160 AND Melting Point (°C): <220



WO2010071837 NOT (Median Lethal Dose (mg/kg): >160 AND Melting Point (°C): <220) AND

This search returns 54 results containing WO2010071837 that also do not have a Median Lethal Dose greater than 160 mg/kg and a Melting Point less than 220°C AND contain the structure.

To edit the Advanced Search Fields from the results page, click the Edit Search button in the Substances search field.

Click the Edit button to edit the structure query.

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Find Substances Using Search Terms

Find Substances Using Chemical Structure

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