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Substance Name: 2-Piperazinecarboxanilide, 1,4-dibutyl-2',6'-dimethyl-, dinitrate
RN: 36478-01-0
InChIKey: QUMFIGRSLTVXGP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H35-N3-O.2H-N-O3

Molecular Weight

  • 439.553
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 36478-01-0

System Generated Number

  • 0036478010

Molecular Formulas

Molecular Formula

  • C21-H35-N3-O.2H-N-O3

Molecular Formula Fragments

  • C21-H35-N3-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C21H35N3O.2HNO2/c1-5-7-12-23-14-15-24(13-8-6-2)19(16-23)21(25)22-20-17(3)10-9-11-18(20)4;2*2-1-3/h9-11,19H,5-8,12-16H2,1-4H3,(H,22,25);2*1H

InChIKey

QUMFIGRSLTVXGP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 14mg/kg (14mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 291, 1972.