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Substance Name: 2-Piperazinecarboxanilide, 1,4-dibutyl-2-methyl-, dinitrate
RN: 63981-37-3
InChIKey: GQGPESHGTUQISM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H33-N3-O.2H-N-O3

Molecular Weight

  • 457.525
 
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Names and Synonyms

Synonym

  • 2-Piperazinecarboxamide, 1,4-dibutyl-2-methyl-N-phenyl-, dinitrate

Systematic Name

  • 2-Piperazinecarboxanilide, 1,4-dibutyl-2-methyl-, dinitrate

Registry Numbers

CAS Registry Number

  • 63981-37-3

System Generated Number

  • 0063981373

Molecular Formulas

Molecular Formula

  • C20-H33-N3-O.2H-N-O3

Molecular Formula Fragments

  • C20-H33-N3-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C20H33N3O.2HNO3/c1-4-6-13-22-15-16-23(14-7-5-2)20(3,17-22)19(24)21-18-11-9-8-10-12-18;2*2-1(3)4/h8-12H,4-7,13-17H2,1-3H3,(H,21,24);2*(H,2,3,4)

InChIKey

GQGPESHGTUQISM-UHFFFAOYSA-N

Smiles

C([C@@]1([N@@](CC[N@@](C1)CCCC)CCCC)C)(Nc1ccccc1)=O.ON(=O)=O.ON(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 291, 1972.