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Substance Name: Isometamidium bromide
RN: 4174-69-0
InChIKey: ZLKRCDXAXRAULJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H26-N7.Br.Br-H

Molecular Weight

  • 621.378
 
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Names and Synonyms

Results Name

  • Isometamidium bromide

Synonyms

  • Isometamidium bromide
  • M & B 4180

Systematic Name

  • Phenanthridinium, 8-(3-(m-amidinophenyl)-2-triazeno)-3-amino-5-ethyl-6-phenyl-, bromide, hydrobromide

Registry Numbers

CAS Registry Number

  • 4174-69-0

System Generated Number

  • 0004174690

Molecular Formulas

Molecular Formula

  • C28-H26-N7.Br.Br-H

Molecular Formula Fragments

  • Br
  • Br-H
  • C28-H26-N7
  • COMPONENT

Structure Descriptors

InChI

1S/C28H25N7.2BrH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);2*1H

InChIKey

ZLKRCDXAXRAULJ-UHFFFAOYSA-N

Smiles

[BrH-].Br.c1(ccc2c3c(c([n+](c2c1)CC)c1ccccc1)cc(\N=N\Nc1cc(C(N)=N)ccc1)cc3)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 18750ug/kg (18.75mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 17, Pg. 396, 1961.