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Substance Name: Phenol, 4-((4,6-dinitro-2-methyl-1H-benzimidazol-5-yl)amino)-
RN: 72766-21-3
InChIKey: ZDDHJRSLKULRKR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-N5-O5

Molecular Weight

  • 329.271
 
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Names and Synonyms

Synonyms

  • 1-25-00-00636 (Beilstein Handbook Reference)
  • 4-((4,6-Dinitro-2-methyl-1H-benzimidazol-5-yl)amino)phenol
  • BRN 0055649

Systematic Name

  • Phenol, 4-((4,6-dinitro-2-methyl-1H-benzimidazol-5-yl)amino)-

Registry Numbers

CAS Registry Number

  • 72766-21-3

System Generated Number

  • 0072766213

Structure Descriptors

InChI

1S/C14H11N5O5/c1-7-15-10-6-11(18(21)22)13(14(19(23)24)12(10)16-7)17-8-2-4-9(20)5-3-8/h2-6,17,20H,1H3,(H,15,16)

InChIKey

ZDDHJRSLKULRKR-UHFFFAOYSA-N

Smiles

c1(c2c(cc(c1Nc1ccc(O)cc1)[N+]([O-])=O)[nH]c(n2)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.