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Substance Name: Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
RN: 71079-87-3
InChIKey: KDTRKDCBBZZICU-UHFFFAOYSA-P

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N5-O-S.2H-N-O3

Molecular Weight

  • 495.514
 
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Names and Synonyms

Synonym

  • 1-tert-Butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)guanidine dinitrate

Systematic Name

  • Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate

Registry Numbers

CAS Registry Number

  • 71079-87-3

System Generated Number

  • 0071079873

Molecular Formulas

Molecular Formula

  • C19-H23-N5-O-S.2H-N-O3

Molecular Formula Fragments

  • C19-H23-N5-O-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C19H23N5OS.2NO3/c1-5-25-16-12-15(13-8-6-7-9-14(13)21-16)22-17(24-19(2,3)4)23-18-20-10-11-26-18;2*2-1(3)4/h6-12H,5H2,1-4H3,(H2,20,21,22,23,24);;/q;2*-1/p+2

InChIKey

KDTRKDCBBZZICU-UHFFFAOYSA-P

Smiles

c1(c2c(nc(OCC)c1)cccc2)\[N+]=C(/[NH+]c1nccs1)NC(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 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 13, 1980.