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Substance Name: Guanidine, 1-pentyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
RN: 72041-98-6
InChIKey: QRMCPTKRNAEXEW-UHFFFAOYSA-P

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N5-S.2H-N-O3

Molecular Weight

  • 479.516
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72041-98-6

System Generated Number

  • 0072041986

Molecular Formulas

Molecular Formula

  • C19-H23-N5-S.2H-N-O3

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C19H23N5S.2NO3/c1-3-4-7-11-24(19-21-10-12-25-19)18(20)23-17-13-14(2)22-16-9-6-5-8-15(16)17;2*2-1(3)4/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H2,20,22,23);;/q;2*-1/p+2

InChIKey

QRMCPTKRNAEXEW-UHFFFAOYSA-P

Smiles

c12c(\[N+]=C(\[N+](c3nccs3)CCCCC)N)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 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 13, 1980.