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Substance Name: Ammonium, (5-bromo-2-furfuryl)(4-(6-chlorothymyloxy)butyl)dimethyl-, bromide
RN: 60723-99-1
InChIKey: AFLXICPWIWAGQQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-Br-Cl-N-O2.Br

Molecular Weight

  • 523.734
 
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Names and Synonyms

Synonym

  • (4-(6-Chlorothymyloxy)butyl)dimethyl(5-bromo-2-furfuryl)ammonium bromide

Systematic Name

  • Ammonium, (5-bromo-2-furfuryl)(4-(6-chlorothymyloxy)butyl)dimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 60723-99-1

System Generated Number

  • 0060723991

Molecular Formulas

Molecular Formula

  • C21-H30-Br-Cl-N-O2.Br

Molecular Formula Fragments

  • Br
  • C21-H30-Br-Cl-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H30BrClNO2.BrH/c1-15(2)18-10-8-16(3)20(23)21(18)25-13-7-6-12-24(4,5)14-17-9-11-19(22)26-17;/h8-11,15H,6-7,12-14H2,1-5H3;1H/q+1;/p-1

InChIKey

AFLXICPWIWAGQQ-UHFFFAOYSA-M

Smiles

c1(c(ccc(c1Cl)C)C(C)C)OCCCC[N+](Cc1ccc(o1)Br)(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.