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Substance Name: 2-Propenamide, 2-cyano-3-(3-ethoxy-4-hydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)-
RN: 107761-26-2
InChIKey: ILLYQVHAYQINBT-NTUHNPAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-N3-O5-S

Molecular Weight

  • 399.4253
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 107761-26-2

System Generated Number

  • 0107761262

Structure Descriptors

InChI

1S/C19H17N3O5S/c1-2-27-17-9-12(7-13(10-20)19(21)24)8-14(18(17)23)11-28-16-5-3-15(4-6-16)22(25)26/h3-9,23H,2,11H2,1H3,(H2,21,24)/b13-7+

InChIKey

ILLYQVHAYQINBT-NTUHNPAUSA-N

Smiles

CCOc1cc(cc(c1O)CSc2ccc(cc2)[N+](=O)[O-])/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,