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Substance Name: 2-Piperazinecarboxanilide, 1,4-diethyl-2',4',6'-trimethyl-, dinitrate
RN: 63981-38-4
InChIKey: YIANRXVOCWAPDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N3-O.2H-N-O3

Molecular Weight

  • 429.471
 
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Names and Synonyms

Synonym

  • 2-Piperazinecarboxamide, 1,4-diethyl-N-(2,4,6-trimethylphenyl)-, dinitrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63981-38-4

System Generated Number

  • 0063981384

Molecular Formulas

Molecular Formula

  • C18-H29-N3-O.2H-N-O3

Molecular Formula Fragments

  • C18-H29-N3-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C18H29N3O.2HNO3/c1-6-20-8-9-21(7-2)16(12-20)18(22)19-17-14(4)10-13(3)11-15(17)5;2*2-1(3)4/h10-11,16H,6-9,12H2,1-5H3,(H,19,22);2*(H,2,3,4)

InChIKey

YIANRXVOCWAPDK-UHFFFAOYSA-N

Smiles

C(Nc1c(cc(cc1C)C)C)(=O)[C@@H]1[N@@](CC[N@@](C1)CC)CC.ON(=O)=O.ON(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 33mg/kg (33mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 291, 1972.