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Substance Name: NSC 81460
RN: 74039-54-6
InChIKey: VHRIZTSUMMLCFP-UHFFFAOYSA-N

Molecular Formula

  • C30-H30-Cl3-N7-O3

Molecular Weight

  • 642.972
 
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Names and Synonyms

Results Name

  • NSC 81460

Synonym

  • NSC 81460

Systematic Names

  • 1,4,7,9b-Tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxamide, N,N',N''-tris(2-chlorophenyl)hexahydro- (9CI)
  • 1,4,7,9b-Tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxanilide, 2',2'',2'''-trichloro-3,3a,6,6a,9,9a-hexahydro-

Registry Numbers

CAS Registry Number

  • 74039-54-6

System Generated Number

  • 0074039546

Structure Descriptors

InChI

1S/C30H30Cl3N7O3/c31-19-7-1-4-10-22(19)34-28(41)37-16-13-26-39(30(43)36-24-12-6-3-9-21(24)33)18-15-27-38(17-14-25(37)40(26)27)29(42)35-23-11-5-2-8-20(23)32/h1-12,25-27H,13-18H2,(H,34,41)(H,35,42)(H,36,43)

InChIKey

VHRIZTSUMMLCFP-UHFFFAOYSA-N

Smiles

N12[C@@H]3N(C(Nc4c(Cl)cccc4)=O)CC[C@@H]1N(C(Nc1c(Cl)cccc1)=O)CC[C@@H]2N(C(Nc1c(Cl)cccc1)=O)CC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02479,