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Substance Name: 2-Propenamide, 2-cyano-3-(3-(((4-(1,1-dimethylethyl)phenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-
RN: 107788-06-7
InChIKey: QTZMWJRMVMDXRJ-MHWRWJLKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-N2-O3-S

Molecular Weight

  • 410.5354
 
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Names and Synonyms

  • 2-Propenamide, 2-cyano-3-(3-(((4-(1,1-dimethylethyl)phenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 107788-06-7

System Generated Number

  • 0107788067

Structure Descriptors

InChI

1S/C23H26N2O3S/c1-5-28-20-12-15(10-16(13-24)22(25)27)11-17(21(20)26)14-29-19-8-6-18(7-9-19)23(2,3)4/h6-12,26H,5,14H2,1-4H3,(H2,25,27)/b16-10+

InChIKey

QTZMWJRMVMDXRJ-MHWRWJLKSA-N

Smiles

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