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Substance Name: Ammonium, (5-(6-chlorothymyloxy)pentyl)dimethyl(5-nitro-2-furfuryl)-, bromide
RN: 60724-03-0
InChIKey: JMXPXEMJNXHDFH-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H32-Cl-N2-O4.Br

Molecular Weight

  • 503.862
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 60724-03-0

System Generated Number

  • 0060724030

Molecular Formulas

Molecular Formula

  • C22-H32-Cl-N2-O4.Br

Molecular Formula Fragments

  • Br
  • C22-H32-Cl-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H32ClN2O4.BrH/c1-16(2)19-14-20(23)17(3)13-21(19)28-12-8-6-7-11-25(4,5)15-18-9-10-22(29-18)24(26)27;/h9-10,13-14,16H,6-8,11-12,15H2,1-5H3;1H/q+1;/p-1

InChIKey

JMXPXEMJNXHDFH-UHFFFAOYSA-M

Smiles

c1(c(cc(Cl)c(c1)C)C(C)C)OCCCCC[N+](Cc1oc([N+](=O)[O-])cc1)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 149, 1977.