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Substance Name: Guanidine, N-decyl-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolyl-, dinitrate
RN: 71079-53-3
InChIKey: JLILRNQZYNXAFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H33-N5-S.2H-N-O3

Molecular Weight

  • 549.6495
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71079-53-3

System Generated Number

  • 0071079533

Molecular Formulas

Molecular Formula

  • C24-H33-N5-S.2H-N-O3

Molecular Formula Fragments

  • C24-H33-N5-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C24H33N5S.2HNO3/c1-3-4-5-6-7-8-9-12-15-25-23(29-24-26-16-17-30-24)28-22-18-19(2)27-21-14-11-10-13-20(21)22;2*2-1(3)4/h10-11,13-14,16-18H,3-9,12,15H2,1-2H3,(H2,25,26,27,28,29);2*(H,2,3,4)

InChIKey

JLILRNQZYNXAFS-UHFFFAOYSA-N

Smiles

CCCCCCCCCCN/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.