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Substance Name: 2-Pyrrolidinone, 1-(2-methylethoxy)-1-((4-nitrophenyl)sulfonyl)-
RN: 111711-83-2
InChIKey: DEYWVKAIHKGBDV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N2-O6-S

Molecular Weight

  • 328.3434
 
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Names and Synonyms

Synonyms

  • 1-(2-Methylethoxy)-1-((4-nitrophenyl)sulfonyl)-2-pyrrolidinone
  • BRN 4788115

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111711-83-2

System Generated Number

  • 0111711832

Structure Descriptors

InChI

1S/C13H16N2O6S/c1-9(2)21-13-8-7-12(16)14(13)22(19,20)11-5-3-10(4-6-11)15(17)18/h3-6,9,13H,7-8H2,1-2H3

InChIKey

DEYWVKAIHKGBDV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 403, 1991.