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Substance Name: 2-Propenamide, 2-cyano-3-(3-ethoxy-4-hydroxy-5-(((pentafluorophenyl)thio)methyl)phenyl)-
RN: 107787-93-9
InChIKey: RDDLNFZYIZUCGB-YCRREMRBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H13-F5-N2-O3-S

Molecular Weight

  • 444.3787
 
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Names and Synonyms

Synonym

  • 2-Cyano-3-(3-ethoxy-4-hydroxy-5-(((pentafluorophenyl)thio)methyl)phenyl)-2-propenamide

Systematic Name

  • 2-Propenamide, 2-cyano-3-(3-ethoxy-4-hydroxy-5-(((pentafluorophenyl)thio)methyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 107787-93-9

System Generated Number

  • 0107787939

Structure Descriptors

InChI

1S/C19H13F5N2O3S/c1-2-29-11-5-8(3-9(6-25)19(26)28)4-10(17(11)27)7-30-18-15(23)13(21)12(20)14(22)16(18)24/h3-5,27H,2,7H2,1H3,(H2,26,28)/b9-3+

InChIKey

RDDLNFZYIZUCGB-YCRREMRBSA-N

Smiles

CCOc1cc(cc(c1O)CSc2c(c(c(c(c2F)F)F)F)F)/C=C(\C#N)/C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4853403,