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Substance Name: 2-Pyrrolidinone, 3-((4-hydroxy-3-methoxy-5-(((4-methylphenyl)thio)methyl)phenyl)methylene)-
RN: 107788-15-8
InChIKey: PQQIJMNPHIRWME-OQLLNIDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O3-S

Molecular Weight

  • 355.4559
 
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Names and Synonyms

Synonym

  • 3-((4-Hydroxy-3-methoxy-5-(((4-methylphenyl)thio)methyl)phenyl)methylene)-2-pyrrolidinone

Systematic Name

  • 2-Pyrrolidinone, 3-((4-hydroxy-3-methoxy-5-(((4-methylphenyl)thio)methyl)phenyl)methylene)-

Registry Numbers

CAS Registry Number

  • 107788-15-8

System Generated Number

  • 0107788158

Structure Descriptors

InChI

1S/C20H21NO3S/c1-13-3-5-17(6-4-13)25-12-16-10-14(11-18(24-2)19(16)22)9-15-7-8-21-20(15)23/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,21,23)/b15-9+

InChIKey

PQQIJMNPHIRWME-OQLLNIDSSA-N

Smiles

Cc1ccc(cc1)SCc2cc(cc(c2O)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,