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Substance Name: SN 6135
RN: 20813-02-9
InChIKey: ISFLZQKTZPYCQF-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formulas

  • C29-H28-N9-O3.H-I.I
  • C29-H28-N9-O3.I.H-I

Molecular Weight

  • 805.408
 
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Names and Synonyms

Results Name

  • SN 6135

Systematic Name

  • Pyridinium, 3-(p-(p-((p-(3-amidinoguanidino)phenyl)carbamoyl)benzamido)benzamido)-1-methyl-, iodide, monohydriodide

Registry Numbers

CAS Registry Number

  • 20813-02-9

System Generated Number

  • 0020813029

Molecular Formulas

Molecular Formulas

  • C29-H28-N9-O3.H-I.I
  • C29-H28-N9-O3.I.H-I

Molecular Formula Fragments

  • C29-H28-N9-O3
  • COMPONENT
  • H-I
  • I

Structure Descriptors

InChI

1S/C29H27N9O3.2HI/c1-38-16-2-3-25(17-38)36-28(41)21-8-10-23(11-9-21)34-26(39)19-4-6-20(7-5-19)27(40)35-24-14-12-22(13-15-24)32-18-33-37-29(30)31;;/h2-18H,1H3,(H7-,30,31,32,33,34,35,36,37,39,40,41);2*1H

InChIKey

ISFLZQKTZPYCQF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 11mg/kg (11mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.