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Substance Name: 2-Pyrrolidinone, 3-((3-ethoxy-4-methoxy-5-(((4-methoxyphenyl)thio)methyl)phenyl)methylene)-
RN: 107788-16-9
InChIKey: WFDUILBHYCRNLF-LFIBNONCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N-O4-S

Molecular Weight

  • 399.5085
 
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Names and Synonyms

Synonym

  • 3-((3-Ethoxy-4-methoxy-5-(((4-methoxyphenyl)thio)methyl)phenyl)methylene)-2-pyrrolidinone

Systematic Name

  • 2-Pyrrolidinone, 3-((3-ethoxy-4-methoxy-5-(((4-methoxyphenyl)thio)methyl)phenyl)methylene)-

Registry Numbers

CAS Registry Number

  • 107788-16-9

System Generated Number

  • 0107788169

Structure Descriptors

InChI

1S/C22H25NO4S/c1-4-27-20-13-15(11-16-9-10-23-22(16)24)12-17(21(20)26-3)14-28-19-7-5-18(25-2)6-8-19/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,23,24)/b16-11+

InChIKey

WFDUILBHYCRNLF-LFIBNONCSA-N

Smiles

CCOc1cc(cc(c1OC)CSc2ccc(cc2)OC)/C=C/3\CCNC3=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,