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Substance Name: 2-Propenoic acid, 3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-2-(methylsulfonyl)-, ethyl ester
RN: 107788-10-3
InChIKey: BJTSJYORCVRPET-UYRXBGFRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-O6-S2

Molecular Weight

  • 436.5466
 
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Names and Synonyms

  • 2-Propenoic acid, 3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-2-(methylsulfonyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 107788-10-3

System Generated Number

  • 0107788103

Structure Descriptors

InChI

1S/C21H24O6S2/c1-4-26-18-12-15(13-19(29(3,24)25)21(23)27-5-2)11-16(20(18)22)14-28-17-9-7-6-8-10-17/h6-13,22H,4-5,14H2,1-3H3/b19-13-

InChIKey

BJTSJYORCVRPET-UYRXBGFRSA-N

Smiles

CCOc1cc(cc(c1O)CSc2ccccc2)/C=C(/C(=O)OCC)\S(=O)(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4853403,