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Substance Name: 2-Propenamide, 2-cyano-3-(3-(((2,6-dichlorophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-
RN: 107787-98-4
InChIKey: VLJAIHBZEOZINA-WUXMJOGZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H16-Cl2-N2-O3-S

Molecular Weight

  • 423.3184
 
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Names and Synonyms

Synonym

  • 2-Cyano-3-(3-(((2,6-dichlorophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-2-propenamide

Systematic Name

  • 2-Propenamide, 2-cyano-3-(3-(((2,6-dichlorophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 107787-98-4

System Generated Number

  • 0107787984

Structure Descriptors

InChI

1S/C19H16Cl2N2O3S/c1-2-26-16-8-11(6-12(9-22)19(23)25)7-13(17(16)24)10-27-18-14(20)4-3-5-15(18)21/h3-8,24H,2,10H2,1H3,(H2,23,25)/b12-6+

InChIKey

VLJAIHBZEOZINA-WUXMJOGZSA-N

Smiles

CCOc1cc(cc(c1O)CSc2c(cccc2Cl)Cl)/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,