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Substance Name: 2-Piperazinecarboxanilide, 1,4-diethyl-2',6'-dimethyl-, dinitrate
RN: 36371-23-0
InChIKey: OBULMLYKTHGJGU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N3-O.2H-N-O3

Molecular Weight

  • 383.446
 
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Names and Synonyms

Synonym

  • 1,4-Diethyl-2',6'-dimethyl-2-piperazinecarboxanilide dinitrate

Systematic Name

  • 2-Piperazinecarboxanilide, 1,4-diethyl-2',6'-dimethyl-, dinitrate

Registry Numbers

CAS Registry Number

  • 36371-23-0

System Generated Number

  • 0036371230

Molecular Formulas

Molecular Formula

  • C17-H27-N3-O.2H-N-O3

Molecular Formula Fragments

  • C17-H27-N3-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C17H27N3O.2HNO2/c1-5-19-10-11-20(6-2)15(12-19)17(21)18-16-13(3)8-7-9-14(16)4;2*2-1-3/h7-9,15H,5-6,10-12H2,1-4H3,(H,18,21);2*1H

InChIKey

OBULMLYKTHGJGU-UHFFFAOYSA-N

Smiles

C([C@@H]1[N@@](CC[N@@](C1)CC)CC)(Nc1c(C)cccc1C)=O.[N+]([O-])=O.[N+]([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22mg/kg (22mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 291, 1972.