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Substance Name: Guanidine, N-(1,1-dimethylethyl)-N'-(5-hydroxy-1-naphthalenyl)-N''-2-thiazolyl-, mononitrate(salt)
RN: 72041-75-9
InChIKey: JRJAZQPIODFNQS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N4-O-S.H-N-O3

Molecular Weight

  • 403.4609
 
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Names and Synonyms

Synonym

  • Guanidine, 1-tert-butyl-2-(5-hydroxy-1-naphthyl)-3-(2-thiazolyl)-, mononitrate

Systematic Name

  • Guanidine, N-(1,1-dimethylethyl)-N'-(5-hydroxy-1-naphthalenyl)-N''-2-thiazolyl-, mononitrate(salt)

Registry Numbers

CAS Registry Number

  • 72041-75-9

System Generated Number

  • 0072041759

Molecular Formulas

Molecular Formula

  • C18-H20-N4-O-S.H-N-O3

Molecular Formula Fragments

  • C18-H20-N4-O-S
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C18H20N4OS.HNO3/c1-18(2,3)22-16(21-17-19-10-11-24-17)20-14-8-4-7-13-12(14)6-5-9-15(13)23;2-1(3)4/h4-11,23H,1-3H3,(H2,19,20,21,22);(H,2,3,4)

InChIKey

JRJAZQPIODFNQS-UHFFFAOYSA-N

Smiles

CC(C)(C)N/C(=N/c1nccs1)/Nc2cccc3c2cccc3O.[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.