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Substance Name: TKA 40211
RN: 253585-83-0
InChIKey: LOCXTTRLSIDGPS-AZPGRJICSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C27-H27-N-O3-S

Molecular Weight

  • 445.58
 
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Names and Synonyms

Results Name

  • TKA 40211

Synonyms

  • CGI-124
  • TKA 40211

Systematic Name

  • 1,2-Octanedione, 1-(4-(phenylthio)phenyl)-, 2-(O-benzoyloxime)

Registry Numbers

CAS Registry Number

  • 253585-83-0

Other Registry Number

  • 618447-34-0

System Generated Number

  • 0253585830

Structure Descriptors

InChI

1S/C27H27NO3S/c1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23/h5-10,12-15,17-20H,2-4,11,16H2,1H3/b28-25+

InChIKey

LOCXTTRLSIDGPS-AZPGRJICSA-N

Smiles

C(\C(CCCCCC)=N\OC(c1ccccc1)=O)(=O)c1ccc(cc1)Sc1ccccc1