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Substance Name: 2-Propenamide, 3-(3-(((4-bromophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)phenyl)-2-cyano-
RN: 107761-27-3
InChIKey: ZQDXSHFHYOZDLU-NTUHNPAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-Br-N2-O3-S

Molecular Weight

  • 433.3243
 
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Names and Synonyms

Synonym

  • 3-(3-(((4-(Bromophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)phenyl)-2-cyano-2-propenamide

Systematic Name

  • 2-Propenamide, 3-(3-(((4-bromophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)phenyl)-2-cyano-

Registry Numbers

CAS Registry Number

  • 107761-27-3

System Generated Number

  • 0107761273

Structure Descriptors

InChI

1S/C19H17BrN2O3S/c1-2-25-17-9-12(7-13(10-21)19(22)24)8-14(18(17)23)11-26-16-5-3-15(20)4-6-16/h3-9,23H,2,11H2,1H3,(H2,22,24)/b13-7+

InChIKey

ZQDXSHFHYOZDLU-NTUHNPAUSA-N

Smiles

CCOc1cc(cc(c1O)CSc2ccc(cc2)Br)/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,