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Substance Name: Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate
RN: 72041-79-3
InChIKey: HTPXKGSBWRCZLT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N5-S.H-N-O3

Molecular Weight

  • 338.3902
 
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Names and Synonyms

Synonyms

  • Guanidine, 1-tert-butyl-2-(2-pyridyl)-3-(2-thiazolyl)-, mononitrate
  • N-(1,1-Dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolylguanidine mononitrate

Systematic Name

  • Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate

Registry Numbers

CAS Registry Number

  • 72041-79-3

System Generated Number

  • 0072041793

Molecular Formulas

Molecular Formula

  • C13-H17-N5-S.H-N-O3

Molecular Formula Fragments

  • C13-H17-N5-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C13H17N5S.HNO3/c1-13(2,3)18-11(17-12-15-8-9-19-12)16-10-6-4-5-7-14-10;2-1(3)4/h4-9H,1-3H3,(H2,14,15,16,17,18);(H,2,3,4)

InChIKey

HTPXKGSBWRCZLT-UHFFFAOYSA-N

Smiles

CC(C)(C)N/C(=N/c1nccs1)/Nc2ccccn2.[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.