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SPPS 221: Pharmaceutical Chemistry: Reaxys

Information resources for pharmaceutical chemistry

Reaxys Access

Reaxys does not require a registration.

Simply go to https://www.reaxys.com. Protected-Wifi (on campus) and VPN (off campus) are still required.

Using Reaxys for Your Assignment

Search by substance and view properties:

  • Enter your compound name in the search box. [image]
  • Results will break out as substances, reactions, documents, and/or commercial sources. Select substances. [image]
  • Substance records will begin to display, sorted by the number of associated article and patent references. You'll get some identification information, along with links to view more of the substance record. Molecular weight may be found under "Identification" and "Druglikeness," and LogP may be found under "Druglikeness."  [image]
  • Available properties will be listed in alphabetical order after boiling points, melting points, and density. Keep clicking "Load More" until the desired property appears. [image]
    • Optical rotation data will be under Optical Rotary Power. LogP data will be under Partition octan-1-ol water (MCS).
  • You will either see the actual data point, with the associated article or patent reference [image], or a description of what data you would find in the in the article or patent. [image] To get the article, click the Full Text link if available, or Get it at UC. .
    • If the reference is for a journal article, the journal will be in bold. If the reference doesn't have a journal name, but an alphanumeric string like CN106632267, WO2014/60900, or US2010/56784, these are patents rather than journal articles.

Find an article on the synthesis/preparation of your substance:

  • Go back to the top of the substance record and go to the preparations list instead. [image].
  • You'll then get a list of the reaction schemes, with options to filter the results by reaction conditions or document type
  • For each reaction scheme, you'll get one or more sets of conditions, including reaction details, possibly a summarized experimental procedure, and a reference and link back to the article or patent where this reaction was reported. [image]

Find an article about the substance's mechanism of action:

  • Go back to the quick search, and enter your compound mechanism of action. [image]
  • Select the top group of document results, and then view those results. Change the sorting from publication year to relevance, and you can also use the publication year filter to the left if you still want to limit results to the most recent years. [image]
  • Click the article title to view the abstract in more detail, and then Get it at UC to get a copy of the article.

Find compounds that match specific properties:

  • Go to the Query Builder, and under Search Fields enter the first property you want to search. [image]
  • Click or drop/drag to move that property into the query builder, then repeat for the additional properties. [image]
  • Enter the data values or ranges you want to search. Some of the properties you selected may have multiple fields. [image] Just select "Show fields" and enter data for your field of interest. [image]
  • The search results should be the substances that match what you entered in the Query Builder. [image]. The relevant data points will be highlighted, with a "Hit Data" link so you can see those data points only. [image]