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Substance Name: Tetramethylenetriamine, 1,7-dichloro-2,4,6-trinitro-
RN: 13126-17-5
InChIKey: IQYWQRXBDCKWIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H8-Cl2-N6-O6

Molecular Weight

  • 307.049
 
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Names and Synonyms

Synonyms

  • 1,7-Dichloro-2,4,6-trinitrotetramethylenetriamine
  • 4-01-00-03060 (Beilstein Handbook Reference)
  • BRN 1717013
  • Methanediamine, N-(chloromethyl)-N'-(((chloromethyl)nitroamino)methyl)-N,N'-dinitro-

Systematic Name

  • Tetramethylenetriamine, 1,7-dichloro-2,4,6-trinitro-

Registry Numbers

CAS Registry Number

  • 13126-17-5

System Generated Number

  • 0013126175

Structure Descriptors

InChI

1S/C4H8Cl2N6O6/c5-1-7(10(13)14)3-9(12(17)18)4-8(2-6)11(15)16/h1-4H2

InChIKey

IQYWQRXBDCKWIL-UHFFFAOYSA-N

Smiles

C(N([N+](=O)[O-])CCl)N([N+](=O)[O-])CN([N+](=O)[O-])CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 118mg/kg (118mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 1504, 1976.