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Substance Name: 2-Propenamide, 2-cyano-3-(3-ethoxy-4-hydroxy-5-(((4-methylphenyl)thio)methyl)phenyl)-
RN: 107787-97-3
InChIKey: IJYHDNYPTQOLNF-OVCLIPMQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-N2-O3-S

Molecular Weight

  • 368.455
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 107787-97-3

System Generated Number

  • 0107787973

Structure Descriptors

InChI

1S/C20H20N2O3S/c1-3-25-18-10-14(8-15(11-21)20(22)24)9-16(19(18)23)12-26-17-6-4-13(2)5-7-17/h4-10,23H,3,12H2,1-2H3,(H2,22,24)/b15-8+

InChIKey

IJYHDNYPTQOLNF-OVCLIPMQSA-N

Smiles

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