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Substance Name: 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((2-(4-nitrophenyl)ethenyl)sulfonyl)-
RN: 114485-85-7
InChIKey: PUJCFQUNEIBKJP-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N2-O6-S

Molecular Weight

  • 354.3812
 
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Names and Synonyms

Synonyms

  • 1-(4-Nitrostyrenesulphonyl)-2-oxo-5-isopropoxypyrrolidine
  • 5-(1-Methylethoxy)-1-((2-(4-nitrophenyl)ethenyl)sulfonyl)-2-pyrrolidinone

Systematic Name

  • 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((2-(4-nitrophenyl)ethenyl)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 114485-85-7

System Generated Number

  • 0114485857

Structure Descriptors

InChI

1S/C15H18N2O6S/c1-11(2)23-15-8-7-14(18)16(15)24(21,22)10-9-12-3-5-13(6-4-12)17(19)20/h3-6,9-11,15H,7-8H2,1-2H3/b10-9+

InChIKey

PUJCFQUNEIBKJP-MDZDMXLPSA-N

Smiles

CC(C)OC1CCC(=O)N1S(=O)(=O)/C=C/c2ccc(cc2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4810722,