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Substance Name: 3,5-Pyrazolidinedione, 4-((3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)methylene)-1-phenyl-
RN: 107788-18-1
InChIKey: LUELDZSTYIQYEU-STZFKDTASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H22-N2-O4-S

Molecular Weight

  • 446.5248
 
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Names and Synonyms

  • 3,5-Pyrazolidinedione, 4-((3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)methylene)-1-phenyl-

Registry Numbers

CAS Registry Number

  • 107788-18-1

System Generated Number

  • 0107788181

Structure Descriptors

InChI

1S/C25H22N2O4S/c1-2-31-22-15-17(13-18(23(22)28)16-32-20-11-7-4-8-12-20)14-21-24(29)26-27(25(21)30)19-9-5-3-6-10-19/h3-15,28H,2,16H2,1H3,(H,26,29)/b21-14-

InChIKey

LUELDZSTYIQYEU-STZFKDTASA-N

Smiles

CCOc1cc(cc(c1O)CSc2ccccc2)/C=C\3/C(=O)NN(C3=O)c4ccccc4

Toxicity

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