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Substance Name: Trinitrosotrimethylenetriamine
RN: 13980-04-6
InChIKey: HFWOSHMLDRSIDN-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C3-H6-N6-O3

Molecular Weight

  • 174.119
 
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Names and Synonyms

Name of Substance

  • Trinitrosotrimethylenetriamine

Synonyms

  • 1,3,5-Triazine, hexahydro-1,3,5-trinitroso-
  • 1,3,5-Trinitroso-1,3,5-triazacyclohexane
  • 1,3,5-Trinitrosohexahydro-s-triazine
  • 4-26-00-00018 (Beilstein Handbook Reference)
  • BRN 0014853
  • CCRIS 9502
  • EINECS 237-766-2
  • Hexahydro-1,3,5-s-triazine
  • Hexahydro-1,3,5-trinitroso-1,3,5-triazine
  • Hexahydro-1,3,5-trinitroso-s-triazine
  • Trinitrosotrimethylenetriamine
  • Trinitrosotrimethylentriamin
  • Trinitrosotrimethylentriamin [German]
  • TTT

Systematic Names

  • Hexahydro-1,3,5-trinitroso-1,3,5-triazine
  • s-Triazine, hexahydro-1,3,5-trinitroso-

Registry Numbers

CAS Registry Number

  • 13980-04-6

System Generated Number

  • 0013980046

Structure Descriptors

InChI

1S/C3H6N6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H2

InChIKey

HFWOSHMLDRSIDN-UHFFFAOYSA-N

Smiles

N1(CN(N=O)CN(C1)N=O)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 160mg/kg (160mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.