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Substance Name: SN 6136
RN: 17785-94-3
InChIKey: YNKHKYBHKUMHGS-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formulas

  • C28-H26-N7-O3.H-I.I
  • C28-H26-N7-O3.I.H-I
  • C28-H27-N7-O3.I.H-I

Molecular Weight

  • 763.367
 
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Names and Synonyms

Name of Substance

  • SN 6136

Synonyms

  • 3-((4-((4-(((4-((Aminoiminomethyl)amino)phenyl)amino)carbonyl)benzoyl)amino)benzoyl)amino)-1-methylpyridinium iodide, monohydroiodide
  • NSC 125025
  • SN 6136

Systematic Names

  • Pyridinium, 3-((4-((4-(((4-((aminoiminomethyl)amino)phenyl)amino)carbonyl)benzoyl)amino)benzoyl)amino)-1-methyl-, iodide, monohydriodide
  • Pyridinium, 3-((4-((4-(((4-((aminoiminomethyl)amino)phenyl)amino)carbonyl)benzoyl)amino)benzoyl)amino)-1-methyl-, iodide, monohydroiodide
  • Pyridinium, 3-(p-(p-((p-guanidinophenyl)carbamoyl)benzamido)benzamido)-1-methyl-, iodide, monohydriodide

Registry Numbers

CAS Registry Number

  • 17785-94-3

System Generated Number

  • 0017785943

Molecular Formulas

Molecular Formulas

  • C28-H26-N7-O3.H-I.I
  • C28-H26-N7-O3.I.H-I
  • C28-H27-N7-O3.I.H-I

Molecular Formula Fragments

  • C28-H26-N7-O3
  • C28-H27-N7-O3
  • COMPONENT
  • H-I
  • I

Structure Descriptors

InChI

1S/C28H25N7O3.2HI/c1-35-16-2-3-24(17-35)33-27(38)20-8-10-21(11-9-20)31-25(36)18-4-6-19(7-5-18)26(37)32-22-12-14-23(15-13-22)34-28(29)30;;/h2-17H,1H3,(H6-,29,30,31,32,33,34,36,37,38);2*1H

InChIKey

YNKHKYBHKUMHGS-UHFFFAOYSA-N

Smiles

c1c(ccc[n+]1C)NC(c1ccc(cc1)NC(c1ccc(cc1)C(=O)Nc1ccc(cc1)NC(=N)N)=O)=O.[IH-].I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 8mg/kg (8mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.