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Substance Name: 2H-Benzimidazole-2-thione, 1,3-dihydro-5-((2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino)-
RN: 72766-28-0
InChIKey: TXYWFTVYFDDSSY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H11-N7-O4-S

Molecular Weight

  • 385.3629
 
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Names and Synonyms

Synonym

  • 1,3-Dihydro-5-((2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino)-2H-benzimidazole-2-thione

Systematic Name

  • 2H-Benzimidazole-2-thione, 1,3-dihydro-5-((2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino)-

Registry Numbers

CAS Registry Number

  • 72766-28-0

System Generated Number

  • 0072766280

Structure Descriptors

InChI

1S/C15H11N7O4S/c1-6-16-10-5-11(21(23)24)13(14(22(25)26)12(10)17-6)18-7-2-3-8-9(4-7)20-15(27)19-8/h2-5,18H,1H3,(H,16,17)(H2,19,20,27)

InChIKey

TXYWFTVYFDDSSY-UHFFFAOYSA-N

Smiles

Cc1[nH]c2cc(c(c(c2n1)[N+](=O)[O-])Nc3ccc4c(c3)[nH]c(=S)[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.