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Substance Name: Ammonium, (5-bromo-2-furfuryl)(5-(6-chlorothymyloxy)pentyl)dimethyl-, bromide
RN: 60724-05-2
InChIKey: NPBRJKTWKJZMJP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H32-Br-Cl-N-O2.Br

Molecular Weight

  • 537.761
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 60724-05-2

System Generated Number

  • 0060724052

Molecular Formulas

Molecular Formula

  • C22-H32-Br-Cl-N-O2.Br

Molecular Formula Fragments

  • Br
  • C22-H32-Br-Cl-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H32BrClNO2.BrH/c1-16(2)19-11-9-17(3)21(24)22(19)26-14-8-6-7-13-25(4,5)15-18-10-12-20(23)27-18;/h9-12,16H,6-8,13-15H2,1-5H3;1H/q+1;/p-1

InChIKey

NPBRJKTWKJZMJP-UHFFFAOYSA-M

Smiles

c1(c(ccc(c1Cl)C)C(C)C)OCCCCC[N+](Cc1ccc(o1)Br)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 38mg/kg (38mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 149, 1977.