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Substance Name: NSC 13987
RN: 81-94-7
UNII: 6PEI1ELZ2S
InChIKey: IYIHHRQMVJYLAX-UHFFFAOYSA-N

Molecular Formula

  • C31-H17-N-O3

Molecular Weight

  • 451.479
 
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Names and Synonyms

Results Name

  • NSC 13987

Name of Substance

  • 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione

Synonyms

  • 1((7-Oxo-7H-benz(de)anthracene-3-yl)amino)anthraquinone
  • Anthraquinone, 1-(benzathronyl-3'-amino)-
  • EINECS 201-388-6
  • NSC 13987
  • UNII-6PEI1ELZ2S

Systematic Names

  • 1-((7H-Benz(de)anthracen-3-yl-7-oxo)amino)anthraquinone
  • 9,10-Anthracenedione, 1-((7-oxo-7H-benz(de)anthracen-3-yl)amino)-
  • Anthraquinone, 1-((7-oxo-7H-benz(de)anthracen-3-yl)amino)- (8CI)

Registry Numbers

CAS Registry Number

  • 81-94-7

FDA UNII

  • 6PEI1ELZ2S

System Generated Number

  • 0000081947

Structure Descriptors

InChI

1S/C31H17NO3/c33-29-19-8-2-1-7-17(19)18-15-16-25(22-11-5-12-23(29)27(18)22)32-26-14-6-13-24-28(26)31(35)21-10-4-3-9-20(21)30(24)34/h1-16,32H

InChIKey

IYIHHRQMVJYLAX-UHFFFAOYSA-N

Smiles

O=C1c2c(C(=O)c3cccc(Nc4c5c6c(C(=O)c7c(cccc7)c6cc4)ccc5)c13)cccc2