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Substance Name: 2-Piperazinecarboxanilide, 1,4-diethyl-2'-methyl-, dinitrate
RN: 36371-22-9
InChIKey: XGSXOSUGLCOJHE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N3-O.2H-N-O3

Molecular Weight

  • 369.419
 
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Names and Synonyms

Synonym

  • 2-Piperazinecarboxamide, 1,4-diethyl-N-(2-methylphenyl)-, dinitrate

Systematic Name

  • 2-Piperazinecarboxanilide, 1,4-diethyl-2'-methyl-, dinitrate

Registry Numbers

CAS Registry Number

  • 36371-22-9

System Generated Number

  • 0036371229

Molecular Formulas

Molecular Formula

  • C16-H25-N3-O.2H-N-O3

Molecular Formula Fragments

  • C16-H25-N3-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C16H25N3O.2HNO2/c1-4-18-10-11-19(5-2)15(12-18)16(20)17-14-9-7-6-8-13(14)3;2*2-1-3/h6-9,15H,4-5,10-12H2,1-3H3,(H,17,20);2*1H

InChIKey

XGSXOSUGLCOJHE-UHFFFAOYSA-N

Smiles

C([C@@H]1[N@@](CC[N@@](C1)CC)CC)(Nc1c(C)cccc1)=O.[N+]([O-])=O.[N+]([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 58mg/kg (58mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 291, 1972.