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Substance Name: Guanidine, N-(1,5-dimethylhexyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolyl-, dinitrate
RN: 71079-51-1
InChIKey: CEWBBTGXXZPXNY-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-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
  • N-(1,5-Dimethylhexyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolylguanidine dinitrate

Systematic Name

  • Guanidine, N-(1,5-dimethylhexyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolyl-, dinitrate

Registry Numbers

CAS Registry Number

  • 71079-51-1

System Generated Number

  • 0071079511

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/c1-15(2)8-7-9-16(3)25-21(27-22-23-12-13-28-22)26-20-14-17(4)24-19-11-6-5-10-18(19)20;2*2-1(3)4/h5-6,10-16H,7-9H2,1-4H3,(H2,23,24,25,26,27);2*(H,2,3,4)

InChIKey

CEWBBTGXXZPXNY-UHFFFAOYSA-N

Smiles

Cc1cc(c2ccccc2n1)N/C(=N\c3nccs3)/NC(C)CCCC(C)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.