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Substance Name: Guanidine, N-(2-ethylhexyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolyl-, dinitrate
RN: 71132-08-6
InChIKey: PWTBJFZUGHPUDN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N5-S.2H-N-O3

Molecular Weight

  • 521.5959
 
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Names and Synonyms

Synonyms

  • Guanidine, 1-(2-ethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
  • N-(2-Ethylhexyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolylguanidine dinitrate

Systematic Name

  • Guanidine, N-(2-ethylhexyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolyl-, dinitrate

Registry Numbers

CAS Registry Number

  • 71132-08-6

System Generated Number

  • 0071132086

Molecular Formulas

Molecular Formula

  • C22-H29-N5-S.2H-N-O3

Molecular Formula Fragments

  • C22-H29-N5-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C22H29N5S.2HNO3/c1-4-6-9-17(5-2)15-24-21(27-22-23-12-13-28-22)26-20-14-16(3)25-19-11-8-7-10-18(19)20;2*2-1(3)4/h7-8,10-14,17H,4-6,9,15H2,1-3H3,(H2,23,24,25,26,27);2*(H,2,3,4)

InChIKey

PWTBJFZUGHPUDN-UHFFFAOYSA-N

Smiles

CCCCC(CC)CN/C(=N/c1nccs1)/Nc2cc(nc3c2cccc3)C.[N+](=O)(O)[O-].[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 13, 1980.