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Substance Name: 1,4-Benzenedicarbonitrile, 6-((4-hydroxyphenyl)amino)-2,3,5-trifluoro-
RN: 67205-71-4
InChIKey: XBWYJDXXJPFFRJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H6-F3-N3-O

Molecular Weight

  • 289.2154
 
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Names and Synonyms

Synonyms

  • 6-((4-Hydroxyphenyl)amino)-2,3,5-trifluoro-1,4-benzenedicarbonitrile
  • BRN 2896609

Systematic Name

  • 1,4-Benzenedicarbonitrile, 6-((4-hydroxyphenyl)amino)-2,3,5-trifluoro-

Registry Numbers

CAS Registry Number

  • 67205-71-4

System Generated Number

  • 0067205714

Structure Descriptors

InChI

1S/C14H6F3N3O/c15-11-9(5-18)13(17)14(10(6-19)12(11)16)20-7-1-3-8(21)4-2-7/h1-4,20-21H

InChIKey

XBWYJDXXJPFFRJ-UHFFFAOYSA-N

Smiles

c1cc(ccc1Nc2c(c(c(c(c2F)C#N)F)F)C#N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.