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Substance Name: Ammonium, (5-bromo-2-furfuryl)dimethyl(5-(2,4,6-tribromophenoxy)pentyl)-, bromide
RN: 60724-04-1
InChIKey: CNCNYIVGAJPOLN-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-Br4-N-O2.Br

Molecular Weight

  • 683.897
 
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Names and Synonyms

Synonym

  • (5-(2,4,6-Tribromophenoxy)pentyl)dimethyl(5-bromo-2-furfuryl)ammonium bromide

Systematic Name

  • Ammonium, (5-bromo-2-furfuryl)dimethyl(5-(2,4,6-tribromophenoxy)pentyl)-, bromide

Registry Numbers

CAS Registry Number

  • 60724-04-1

System Generated Number

  • 0060724041

Molecular Formulas

Molecular Formula

  • C18-H22-Br4-N-O2.Br

Molecular Formula Fragments

  • Br
  • C18-H22-Br4-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22Br4NO2.BrH/c1-23(2,12-14-6-7-17(22)25-14)8-4-3-5-9-24-18-15(20)10-13(19)11-16(18)21;/h6-7,10-11H,3-5,8-9,12H2,1-2H3;1H/q+1;/p-1

InChIKey

CNCNYIVGAJPOLN-UHFFFAOYSA-M

Smiles

c1(c(cc(Br)cc1Br)Br)OCCCCC[N+](Cc1oc(Br)cc1)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 149, 1977.