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Substance Name: Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate
RN: 67026-89-5
InChIKey: ZSYPHXYNDHUJGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-N5.H2-O

Molecular Weight

  • 245.3281
 
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Names and Synonyms

Synonyms

  • 2-Cyano-1-tert-pentyl-3-(4-pyridylmethyl)guanidine monohydrate
  • Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-(4-pyridinylmethyl)-, hydrate

Systematic Name

  • Guanidine, 2-cyano-1-tert-pentyl-3-(4-pyridylmethyl)-, monohydrate

Registry Numbers

CAS Registry Number

  • 67026-89-5

System Generated Number

  • 0067026895

Molecular Formulas

Molecular Formula

  • C13-H19-N5.H2-O

Molecular Formula Fragments

  • C13-H19-N5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H19N5/c1-4-13(2,3)18-12(17-10-14)16-9-11-5-7-15-8-6-11/h5-8H,4,9H2,1-3H3,(H2,16,17,18)

InChIKey

ZSYPHXYNDHUJGW-UHFFFAOYSA-N

Smiles

CCC(C)(C)N/C(=N\Cc1ccncc1)/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.