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Substance Name: Guanidine, N-(2-chloro-3-pyridinyl)-N'-cyano-N''-(1,1-dimethylethyl)-
RN: 60560-11-4
InChIKey: NSHPBHKUFWVLSB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-Cl-N5

Molecular Weight

  • 251.72
 
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Names and Synonyms

Synonyms

  • 5-22-09-00091 (Beilstein Handbook Reference)
  • BRN 0484409
  • Guanidine, 1-tert-butyl-3-(2-chloro-3-pyridyl)-2-cyano-
  • N-(2-Chloro-3-pyridinyl)-N'-cyano-N''-(1,1-dimethylethyl)guanidine

Systematic Name

  • Guanidine, N-(2-chloro-3-pyridinyl)-N'-cyano-N''-(1,1-dimethylethyl)-

Registry Numbers

CAS Registry Number

  • 60560-11-4

System Generated Number

  • 0060560114

Structure Descriptors

InChI

1S/C11H14ClN5/c1-11(2,3)17-10(15-7-13)16-8-5-4-6-14-9(8)12/h4-6H,1-3H3,(H2,15,16,17)

InChIKey

NSHPBHKUFWVLSB-UHFFFAOYSA-N

Smiles

C(=N\c1c(nccc1)Cl)(\NC#N)NC(C)(C)C

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.