Stereospecific naming of thalidomide

Hi,

the naming for thalidomide is wrong (Marvin 6.05). Correct is:

(S)(-)-Thalidomide
(R)(+)-Thalidomide

See:

Stereospecific determination, chiral inversion in vitro and pharmacokinetics in humans of the enantiomers of thalidomide

http://onlinelibrary.wiley.com/doi/10.1002/chir.530070109/pdf

 

Currently Marvin splits out (correctly):

Traditional Name = (R)-thalidomide

InChIKey=UEJJHQNACJXSKW-SECBINFHSA-N

O=C1N([C@@H]2CCC(=O)NC2=O)C(=O)c2ccccc12

 

but falsely or wrongly:

Traditional Name = (+)-thalidomide

InChIKey=UEJJHQNACJXSKW-VIFPVBQESA-N

O=C1N([C@H]2CCC(=O)NC2=O)C(=O)c2ccccc12

 

Not sure of that is a general error with propagation to other structures or just a wrong dictionary entry,

I was amazed that it actually knew the name, I hope for the dict error. Also if (R) is known, (S) would be also nice.

 

Cheers

Tobias

 

 

Dear Tobias,

Indeed this is a "only" a dictionary error. I could trace back the error in the NCI database. It is present in their latest released version, but fortunately it is fixed in their live version, so hopefully once they release it and we integrate it this specific error will disappear.

Hello,

oh good.

Cheers

Tobias