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Substance Name: 1H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazin-1-one, 2,4-dihydro-6,8-dinitro-
RN: 96753-85-4
InChIKey: CTBOHMYEWXRPAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H5-N5-O6

Molecular Weight

  • 279.1675
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-6,8-dinitro-1H-(1,2,4)triazolo(3,4-c)(1,4)benzoxazin-1-one
  • BRN 4567114
  • IDPH-8032

Systematic Name

  • 1H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazin-1-one, 2,4-dihydro-6,8-dinitro-

Registry Numbers

CAS Registry Number

  • 96753-85-4

System Generated Number

  • 0096753854

Structure Descriptors

InChI

1S/C9H5N5O6/c15-9-11-10-7-3-20-8-5(12(7)9)1-4(13(16)17)2-6(8)14(18)19/h1-2H,3H2,(H,11,15)

InChIKey

CTBOHMYEWXRPAT-UHFFFAOYSA-N

Smiles

c1c(cc(c2c1-n3c(n[nH]c3=O)CO2)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1080mg/kg (1080mg/kg)   Drugs of the Future. Vol. 10, Pg. 559, 1985.
mouse LD50 oral 1710mg/kg (1710mg/kg)   Drugs of the Future. Vol. 10, Pg. 559, 1985.
rat LD50 intraperitoneal 2710mg/kg (2710mg/kg)   Drugs of the Future. Vol. 10, Pg. 559, 1985.
rat LD50 oral 3690mg/kg (3690mg/kg)   Drugs of the Future. Vol. 10, Pg. 559, 1985.