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Substance Name: 1H-Benzimidazole, 4,6-dinitro-5-(4-phenyl-1-piperazinyl)-
RN: 72766-39-3
InChIKey: XNMITCFTXVECOW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-N6-O4

Molecular Weight

  • 368.3514
 
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Names and Synonyms

Synonyms

  • 4,6-Dinitro-5-(4-phenyl-1-piperazinyl)-1H-benzimidazole
  • BRN 0945299

Systematic Name

  • 1H-Benzimidazole, 4,6-dinitro-5-(4-phenyl-1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 72766-39-3

System Generated Number

  • 0072766393

Structure Descriptors

InChI

1S/C17H16N6O4/c24-22(25)14-10-13-15(19-11-18-13)17(23(26)27)16(14)21-8-6-20(7-9-21)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,18,19)

InChIKey

XNMITCFTXVECOW-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N2CCN(CC2)c3c(cc4c(c3[N+](=O)[O-])nc[nH]4)[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.