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Substance Name: 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-
RN: 54978-22-2
InChIKey: ZCGXVDFOMRHQOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H13-N5-O4

Molecular Weight

  • 267.2437
 
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Names and Synonyms

Synonyms

  • 1,2,4,5,6,7-Hexahydro-3-imino-4-nitro-5,7-diketo-6,6-diallyl-3H-1,2,4-triazepine
  • 3-Amino-4-nitro-6,6-di-2-propenyl-1H-1,2,4-triazepine-5,7(4H,6H)-dione

Systematic Name

  • 1H-1,2,4-Triazepine-5,7(4H,6H)-dione, 3-amino-4-nitro-6,6-di-2-propenyl-

Registry Numbers

CAS Registry Number

  • 54978-22-2

System Generated Number

  • 0054978222

Structure Descriptors

InChI

1S/C10H13N5O4/c1-3-5-10(6-4-2)7(16)12-13-9(11)14(8(10)17)15(18)19/h3-4H,1-2,5-6H2,(H2,11,13)(H,12,16)

InChIKey

ZCGXVDFOMRHQOX-UHFFFAOYSA-N

Smiles

C=CCC1(C(=O)NN=C(N(C1=O)[N+](=O)[O-])N)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 440mg/kg (440mg/kg)   Archivum Immunologiae et Therapiae Experimentalis. Vol. 22, Pg. 813, 1974.