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Substance Name: Guanidine, 1-tert-butyl-2-cyano-3-(3-pyridylmethyl)-
RN: 67026-88-4
InChIKey: DDZJTAKSPRHFFE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N5

Molecular Weight

  • 231.3013
 
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Names and Synonyms

Synonyms

  • 1-tert-Butyl-2-cyano-3-(3-pyridylmethyl)guanidine
  • BRN 0406660
  • Guanidine, N-cyano-N'-(1,1-dimethylethyl)-N''-(3-pyridinylmethyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67026-88-4

System Generated Number

  • 0067026884

Structure Descriptors

InChI

1S/C12H17N5/c1-12(2,3)17-11(16-9-13)15-8-10-5-4-6-14-7-10/h4-7H,8H2,1-3H3,(H2,15,16,17)

InChIKey

DDZJTAKSPRHFFE-UHFFFAOYSA-N

Smiles

CC(C)(C)N/C(=N\Cc1cccnc1)/NC#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.