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Substance Name: Guanidine, 1-cyclopropyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
RN: 71079-56-6
InChIKey: RGEXPZAMHBJKCW-UHFFFAOYSA-P

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N5-S.2H-N-O3

Molecular Weight

  • 449.446
 
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Names and Synonyms

Synonym

  • 1-Cyclopropyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidine dinitrate

Systematic Name

  • Guanidine, 1-cyclopropyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate

Registry Numbers

CAS Registry Number

  • 71079-56-6

System Generated Number

  • 0071079566

Molecular Formulas

Molecular Formula

  • C17-H17-N5-S.2H-N-O3

Molecular Formula Fragments

  • C17-H17-N5-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C17H17N5S.2NO3/c1-11-10-15(13-4-2-3-5-14(13)19-11)21-16(20-12-6-7-12)22-17-18-8-9-23-17;2*2-1(3)4/h2-5,8-10,12H,6-7H2,1H3,(H2,18,19,20,21,22);;/q;2*-1/p+2

InChIKey

RGEXPZAMHBJKCW-UHFFFAOYSA-P

Smiles

c12c(\N=C(\[NH+]C3CC3)[NH+]c3nccs3)cc(C)nc1cccc2.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 13, 1980.