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Substance Name: 2-Piperazinecarboxanilide, 1,2',4,6'-tetramethyl-, dinitrate
RN: 36371-27-4
InChIKey: QEZATIKXSGBFRQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N3-O.2H-N-O3

Molecular Weight

  • 355.392
 
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Names and Synonyms

Synonym

  • 2-Piperazinecarboxamide, N-(2,6-dimethylphenyl)-1,4-dimethyl-, dinitrate

Systematic Name

  • 2-Piperazinecarboxanilide, 1,2',4,6'-tetramethyl-, dinitrate

Registry Numbers

CAS Registry Number

  • 36371-27-4

System Generated Number

  • 0036371274

Molecular Formulas

Molecular Formula

  • C15-H23-N3-O.2H-N-O3

Molecular Formula Fragments

  • C15-H23-N3-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C15H23N3O.2HNO2/c1-11-6-5-7-12(2)14(11)16-15(19)13-10-17(3)8-9-18(13)4;2*2-1-3/h5-7,13H,8-10H2,1-4H3,(H,16,19);2*1H

InChIKey

QEZATIKXSGBFRQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 107mg/kg (107mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 291, 1972.