Comments on: Egon asks: What is dapagliflozin? Check in ChemSpider….

By: ChemSpider Blog » Blog Archive » ChemGate, eMolecules and Discussions About Copyright

Mon, 10 Sep 2007 02:48:32 +0000

[...] now if someone chose to post a structure and a “value” extracted from a paper to the submission system on ChemSpider? [...]

By: David Bradley

David Bradley — Wed, 05 Sep 2007 09:36:34 +0000

I’d love to get on one of the teams that comes with these names – dapaglifozin, diclonefac, infliximab – it’s like Aztec or some other forgotten tongue…

By: Antony Williams

Antony Williams — Sun, 02 Sep 2007 20:03:23 +0000

I commented in the original blog posting “Following submission the structure and associated text is reviewed and approved for exposure on the ChemSpider database.” What I DIDN’T say (oops) was that this process is a manual process at this time and the deposition had not been approved. It has now been approved and is available at:

http://www.chemspider.com/RecordView.aspx?id=8063384

Note that the structure already existed in PubChem and Thomson Pharma but that NONE of the identifiers were available in those systems and the deposition I put in was deduplicated onto the original record and all identifiers were added.

Do the search now and you will find it at http://www.chemspider.com/Search.aspx?q=+Dapagliflozin

I updated the InChI on Wikipedia as you suggested.

By: Egon Willighagen

Egon Willighagen — Sat, 01 Sep 2007 09:02:07 +0000

Ah, indeed. I overlooked the missing stereochemistry in the InChI. Seems to be a limitation in the CDK InChI generator… will ask Sam about why that did not work.

BTW, adding it might take 3 minutes, but it finds 0 hits in under 2 seconds

BTW2, please feel free to correct the InChI in Wikipedia!