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Substance Name: 2-Pyrrolidinone, 3-((4-(benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)methylene)-
RN: 107788-17-0
InChIKey: SOSYRSPCKRVCDX-RCCKNPSSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H25-N-O4-S

Molecular Weight

  • 459.5635
 
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Names and Synonyms

Synonym

  • 3-((4-(Benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)methylene)-2-pyrrolidinone

Systematic Name

  • 2-Pyrrolidinone, 3-((4-(benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)methylene)-

Registry Numbers

CAS Registry Number

  • 107788-17-0

System Generated Number

  • 0107788170

Structure Descriptors

InChI

1S/C27H25NO4S/c1-2-31-24-17-19(15-21-13-14-28-26(21)29)16-22(18-33-23-11-7-4-8-12-23)25(24)32-27(30)20-9-5-3-6-10-20/h3-12,15-17H,2,13-14,18H2,1H3,(H,28,29)/b21-15+

InChIKey

SOSYRSPCKRVCDX-RCCKNPSSSA-N

Smiles

CCOc1cc(cc(c1OC(=O)c2ccccc2)CSc3ccccc3)/C=C/4\CCNC4=O

Toxicity

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