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Substance Name: 1H-Pyrazino(2,3-c)(1,2,6)thiadiazin-4-amine, 6,7-bis(4-nitrophenyl)-, 2,2-dioxide
RN: 116544-21-9
InChIKey: LQKYTNQNZWBUTG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H11-N7-O6-S

Molecular Weight

  • 441.3829
 
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Names and Synonyms

Synonyms

  • 6,7-Bis(4-nitrophenyl)-1H-pyrazino(2,3-c)(1,2,6)thiadiazin-4-amine 2,2-dioxide
  • BRN 5180659

Systematic Name

  • 1H-Pyrazino(2,3-c)(1,2,6)thiadiazin-4-amine, 6,7-bis(4-nitrophenyl)-, 2,2-dioxide

Registry Numbers

CAS Registry Number

  • 116544-21-9

System Generated Number

  • 0116544219

Structure Descriptors

InChI

1S/C17H11N7O6S/c18-16-15-17(22-31(29,30)21-16)20-14(10-3-7-12(8-4-10)24(27)28)13(19-15)9-1-5-11(6-2-9)23(25)26/h1-8H,(H2,18,21)(H,20,22)

InChIKey

LQKYTNQNZWBUTG-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2c(nc3c(n2)C(=NS(=O)(=O)N3)N)c4ccc(cc4)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 163, 1993.
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 163, 1993.