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Substance Name: NSC 84171
RN: 116-76-7
UNII: QKR0EH1TD3
InChIKey: APWOKAUQXMGVOF-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C42-H22-N2-O6

Molecular Weight

  • 650.644
 
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Names and Synonyms

Results Name

  • NSC 84171

Name of Substance

  • 1,1',4',1''-Trianthrimide

Synonyms

  • 1,1',4',1''-Trianthrimide
  • 1,1'-(Anthraquinon-1,4-ylenediimino)dianthraquinone
  • 1,4-Bis(1-anthraquinonylamino)anthraquinone
  • 1,4-Bis-1'-anthrachinonylamino-anthrachinon
  • 1,4-Bis-1'-anthrachinonylamino-anthrachinon [Czech]
  • 1,4-Trianthrimid
  • 1,4-Trianthrimid [Czech]
  • 4-14-00-00464 (Beilstein Handbook Reference)
  • Anthraquinone, 1,1'-(anthraquinon-1,4-ylenediimino)di-
  • BRN 2932217
  • EINECS 204-156-2
  • NSC 84171
  • UNII-QKR0EH1TD3

Systematic Names

  • 1,4-Bis((9,10-dihydro-9,10-dioxo-1-anthryl)amino)anthraquinone
  • 9,10-Anthracenedione, 1,4-bis((2,4,6-trimethylphenyl)amino)- (9CI)
  • 9,10-Anthracenedione, 1,4-bis((9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-
  • Anthraquinone, 1,1'-(anthraquinon-1,4-ylenediimino)di-
  • Anthraquinone, 1,4-bis(1-anthraquinonylamino)- (6CI,7CI,8CI)

Registry Numbers

CAS Registry Number

  • 116-76-7

FDA UNII

  • QKR0EH1TD3

System Generated Number

  • 0000116767

Structure Descriptors

InChI

1S/C42H22N2O6/c45-37-21-9-1-3-11-23(21)39(47)33-27(37)15-7-17-29(33)43-31-19-20-32(36-35(31)41(49)25-13-5-6-14-26(25)42(36)50)44-30-18-8-16-28-34(30)40(48)24-12-4-2-10-22(24)38(28)46/h1-20,43-44H

InChIKey

APWOKAUQXMGVOF-UHFFFAOYSA-N

Smiles

c12c(c(Nc3c4c(C(c5ccccc5C4=O)=O)ccc3)ccc1Nc1c3c(C(c4ccccc4C3=O)=O)ccc1)C(c1ccccc1C2=O)=O