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Substance Name: 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-
RN: 72766-42-8
InChIKey: PIIQFPLGXRMEIY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N5-O6

Molecular Weight

  • 387.35
 
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Names and Synonyms

Synonyms

  • BRN 0946540
  • N-(2-(3,4-Dimethoxyphenyl)ethyl)-4,6-dinitro-1H-benzimidazol-5-amine

Systematic Name

  • 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-

Registry Numbers

CAS Registry Number

  • 72766-42-8

System Generated Number

  • 0072766428

Structure Descriptors

InChI

1S/C17H17N5O6/c1-27-13-4-3-10(7-14(13)28-2)5-6-18-16-12(21(23)24)8-11-15(20-9-19-11)17(16)22(25)26/h3-4,7-9,18H,5-6H2,1-2H3,(H,19,20)

InChIKey

PIIQFPLGXRMEIY-UHFFFAOYSA-N

Smiles

c1(c(c([N+]([O-])=O)cc2c1nc[nH]2)NCCc1cc(OC)c(cc1)OC)[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.