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Substance Name: Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate
RN: 72041-85-1
InChIKey: AFWGINWQLXVKHP-UHFFFAOYSA-P

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N5-S.2H-N-O3

Molecular Weight

  • 415.429
 
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Names and Synonyms

Synonym

  • 1-tert-Butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)guanidine dinitrate

Systematic Name

  • Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate

Registry Numbers

CAS Registry Number

  • 72041-85-1

System Generated Number

  • 0072041851

Molecular Formulas

Molecular Formula

  • C14-H19-N5-S.2H-N-O3

Molecular Formula Fragments

  • C14-H19-N5-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C14H19N5S.2NO3/c1-10-9-11(5-6-15-10)17-12(19-14(2,3)4)18-13-16-7-8-20-13;2*2-1(3)4/h5-9H,1-4H3,(H2,15,16,17,18,19);;/q;2*-1/p+2

InChIKey

AFWGINWQLXVKHP-UHFFFAOYSA-P

Smiles

C(=N\c1cc(ncc1)C)(\[NH+]c1nccs1)[NH+]C(C)(C)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 13, 1980.