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Substance Name: Guanidine, 1-(3-(p-chlorophenyl)-1-methyl-5-pyrazolyl)-2-cyano-3-tert-pentyl-
RN: 67026-71-5
InChIKey: XHXFUZRFQYGDOZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-Cl-N6

Molecular Weight

  • 344.8479
 
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Names and Synonyms

Synonyms

  • 1-(3-(p-Chlorophenyl)-1-methyl-5-pyrazolyl)-2-cyano-3-tert-pentylguanidine
  • BRN 0702743
  • Guanidine, N-(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)-N'-cyano-N''-(1,1-dimethylpropyl)-

Systematic Name

  • Guanidine, 1-(3-(p-chlorophenyl)-1-methyl-5-pyrazolyl)-2-cyano-3-tert-pentyl-

Registry Numbers

CAS Registry Number

  • 67026-71-5

System Generated Number

  • 0067026715

Structure Descriptors

InChI

1S/C17H21ClN6/c1-5-17(2,3)22-16(20-11-19)21-15-10-14(23-24(15)4)12-6-8-13(18)9-7-12/h6-10H,5H2,1-4H3,(H2,20,21,22)

InChIKey

XHXFUZRFQYGDOZ-UHFFFAOYSA-N

Smiles

CCC(C)(C)/N=C(\NC#N)/Nc1cc(nn1C)c2ccc(cc2)Cl

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.