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Substance Name: 3,5-Pyrazolidinedione, 4-((3-butoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)methylene)-1-phenyl-
RN: 107788-22-7
InChIKey: INEYKTMUQIYJJL-KQWNVCNZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H26-N2-O4-S

Molecular Weight

  • 474.5784
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 107788-22-7

System Generated Number

  • 0107788227

Structure Descriptors

InChI

1S/C27H26N2O4S/c1-2-3-14-33-24-17-19(15-20(25(24)30)18-34-22-12-8-5-9-13-22)16-23-26(31)28-29(27(23)32)21-10-6-4-7-11-21/h4-13,15-17,30H,2-3,14,18H2,1H3,(H,28,31)/b23-16-

InChIKey

INEYKTMUQIYJJL-KQWNVCNZSA-N

Smiles

CCCCOc1cc(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,