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Substance Name: 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-
RN: 107788-07-8
InChIKey: BIMTVOGHGRSMBT-WUXMJOGZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-N2-O3-S

Molecular Weight

  • 326.3746
 
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Names and Synonyms

Synonym

  • 2-Cyano-3-(3,4-dihydroxy-5-((phenylthio)methyl)phenyl)-2-propenamide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 107788-07-8

System Generated Number

  • 0107788078

Structure Descriptors

InChI

1S/C17H14N2O3S/c18-9-12(17(19)22)6-11-7-13(16(21)15(20)8-11)10-23-14-4-2-1-3-5-14/h1-8,20-21H,10H2,(H2,19,22)/b12-6+

InChIKey

BIMTVOGHGRSMBT-WUXMJOGZSA-N

Smiles

c1ccc(cc1)SCc2cc(cc(c2O)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,