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Substance Name: 2-Propenamide, 2-cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-
RN: 107788-00-1
InChIKey: FOGXCBUSKWTDKV-NTUHNPAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-N2-O3-S

Molecular Weight

  • 340.4014
 
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Names and Synonyms

Synonym

  • 2-Cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-2-propenamide

Systematic Name

  • 2-Propenamide, 2-cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 107788-00-1

System Generated Number

  • 0107788001

Structure Descriptors

InChI

1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+

InChIKey

FOGXCBUSKWTDKV-NTUHNPAUSA-N

Smiles

COc1cc(cc(c1O)CSc2ccccc2)/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,