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Substance Name: 1,4,7,9b-Tetraazaphenalene, dodecahydro-1,4,7-tris(phenylcarbamoyl)-
RN: 10553-79-4
InChIKey: KZABVRNPOUFTLG-UHFFFAOYSA-N

Molecular Formula

  • C30-H33-N7-O3

Molecular Weight

  • 539.637
 
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Names and Synonyms

Synonyms

  • BRN 0599784
  • Dodecahydro-1,4,7-tris(phenylcarbamoyl)-1,4,7,9b-tetraazaphenalene
  • N,N',N''-Tris(phenylcarbamoyl)dodecahydro-1,4,7,9b-tetraazaphenalene
  • NSC 202441

Systematic Names

  • 1,4,7,9b-Tetraazaphenalene, dodecahydro-1,4,7-tris(phenylcarbamoyl)-
  • 1,4,7,9b-Tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxanilide, 3,3a,6,6a,9,9a-hexahydro- (8CI)

Registry Numbers

CAS Registry Number

  • 10553-79-4

System Generated Number

  • 0010553794

Structure Descriptors

InChI

1S/C30H33N7O3/c38-28(31-22-10-4-1-5-11-22)34-19-16-26-36(30(40)33-24-14-8-3-9-15-24)21-18-27-35(20-17-25(34)37(26)27)29(39)32-23-12-6-2-7-13-23/h1-15,25-27H,16-21H2,(H,31,38)(H,32,39)(H,33,40)

InChIKey

KZABVRNPOUFTLG-UHFFFAOYSA-N

Smiles

N12[C@@H]3N(C(Nc4ccccc4)=O)CC[C@@H]1N(C(Nc1ccccc1)=O)CC[C@@H]2N(C(Nc1ccccc1)=O)CC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 130mg/kg (130mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05380,