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Substance Name: N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine
RN: 60559-94-6
InChIKey: TXXOFXVEUPZZHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H15-N5

Molecular Weight

  • 217.275
 
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Names and Synonyms

Name of Substance

  • N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine

Synonyms

  • 1-tert-Butyl-2-cyano-3-(3-pyridyl)guanidine
  • BRN 0479173
  • Guanidine, N-cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinyl-

Systematic Name

  • Guanidine, 1-tert-butyl-2-cyano-3-(3-pyridyl)-

Registry Numbers

CAS Registry Number

  • 60559-94-6

System Generated Number

  • 0060559946

Structure Descriptors

InChI

1S/C11H15N5/c1-11(2,3)16-10(14-8-12)15-9-5-4-6-13-7-9/h4-7H,1-3H3,(H2,14,15,16)

InChIKey

TXXOFXVEUPZZHB-UHFFFAOYSA-N

Smiles

C(\Nc1cccnc1)(NC(C)(C)C)=N/C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 773, 1978.
rat LD50 oral 278mg/kg (278mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Journal of Medicinal Chemistry. Vol. 21, Pg. 773, 1978.