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Substance Name: 1,3-Propanediamine, N,N-diethyl-N'-(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)-
RN: 72766-20-2
InChIKey: WIVOVCUTWRETMO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N6-O4

Molecular Weight

  • 350.3768
 
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Names and Synonyms

Synonyms

  • BRN 0941034
  • N,N-Diethyl-N'-(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)-1,3-propanediamine

Systematic Name

  • 1,3-Propanediamine, N,N-diethyl-N'-(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)-

Registry Numbers

CAS Registry Number

  • 72766-20-2

System Generated Number

  • 0072766202

Structure Descriptors

InChI

1S/C15H22N6O4/c1-4-19(5-2)8-6-7-16-14-12(20(22)23)9-11-13(15(14)21(24)25)18-10(3)17-11/h9,16H,4-8H2,1-3H3,(H,17,18)

InChIKey

WIVOVCUTWRETMO-UHFFFAOYSA-N

Smiles

CCN(CC)CCCNc1c(cc2c(c1[N+](=O)[O-])nc([nH]2)C)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 17, Pg. 164, 1979.