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Chemical Names

chemnames_Aug2013.zip All chemical names available. First field is NSC number, second filed is the name and the third field is the name type (most just generic "Chemical Name"). The field separator is a "|".  Note that we do not have chemical names for most of the compounds and many of the names that are there are systematic names that might not be very useful for searching.

Name types

  • USAN - United States Adopted Name
  • VAN - CAS valid ambiguous name
  • DOT Name - Department of Transportation Name
  • Brand Name
  • 6th C.I.

  • 7th C.I.

  • 8th C.I.

  • 9th C.I.

  • Belgian Name

  • Czech Name

  • Dutch Name

  • French Name

  • German Name

  • Hindustan Name

  • INN:BAN

  • Italian Name

  • Japanese Name

  • Persian Name

  • Polish Name

  • Portuguese Name

  • Roumanian Name

  • Russian Name

  • Spanish Name

  • Swedish Name

  • Chemical Name - not in one of the other categories or unknown type

     

     

     

     

...

Other compound identifiers

NSC_CAS_Sept2013.csv  NSC to CAS number.  We only have CAS number for 130,893 NSCs.

NSC_PubChemSID.csv NSC to PubChem SID. This is the SID from the DTP upload to PubChem.

2D structures

All open (March 2012 Release) 273885 compounds. 64 MB compressed, uncompresses to 648 MB

...

Converted using CACTVS 4.4 MB compressed using standard Unix compress, uncompresses to ca. 15 MB. The program CACTVS v. 3.2 was used to convert the connection tables to SMILES strings. Thanks to Wolf-Dietrich Ihlenfeldt for providing us with the conversion scripts handling the formal charge problem and other 'unusual stuff' in the NCI database.

Chemical Names

chemnames_Aug2013.zip All chemical names available. First field is NSC number, second filed is the name and the third field is the name type (most just generic "Chemical Name"). The field separator is a "|".  Note that we do not have chemical names for most of the compounds and many of the names that are there are systematic names that might not be very useful for searching.

Name types

  • USAN - United States Adopted Name
  • VAN - CAS valid ambiguous name
  • DOT Name - Department of Transportation Name
  • Brand Name
  • 6th C.I.

  • 7th C.I.

  • 8th C.I.

  • 9th C.I.

  • Belgian Name

  • Czech Name

  • Dutch Name

  • French Name

  • German Name

  • Hindustan Name

  • INN:BAN

  • Italian Name

  • Japanese Name

  • Persian Name

  • Polish Name

  • Portuguese Name

  • Roumanian Name

  • Russian Name

  • Spanish Name

  • Swedish Name

  • Chemical Name - not in one of the other categories or unknown type