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Substance Name: 2-Propenamide, 2-cyano-3-(3-ethoxy-4-hydroxy-5-(((3-phenylpropyl)thio)methyl)phenyl)-
RN: 107787-94-0
InChIKey: SIFQPDIKSVKIFW-WOJGMQOQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-N2-O3-S

Molecular Weight

  • 396.5086
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 107787-94-0

System Generated Number

  • 0107787940

Structure Descriptors

InChI

1S/C22H24N2O3S/c1-2-27-20-13-17(11-18(14-23)22(24)26)12-19(21(20)25)15-28-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13,25H,2,6,9-10,15H2,1H3,(H2,24,26)/b18-11+

InChIKey

SIFQPDIKSVKIFW-WOJGMQOQSA-N

Smiles

CCOc1cc(cc(c1O)CSCCCc2ccccc2)/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,