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Substance Name: 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)-
RN: 111711-92-3
InChIKey: FCECKPSEBQWTHG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-F3-N-O4-S

Molecular Weight

  • 351.3434
 
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Names and Synonyms

Synonyms

  • 5-(1-Methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)-2-pyrrolidinone
  • BRN 4763587

Systematic Name

  • 2-Pyrrolidinone, 5-(1-methylethoxy)-1-((3-(trifluoromethyl)phenyl)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 111711-92-3

System Generated Number

  • 0111711923

Structure Descriptors

InChI

1S/C14H16F3NO4S/c1-9(2)22-13-7-6-12(19)18(13)23(20,21)11-5-3-4-10(8-11)14(15,16)17/h3-5,8-9,13H,6-7H2,1-2H3

InChIKey

FCECKPSEBQWTHG-UHFFFAOYSA-N

Smiles

CC(C)OC1CCC(=O)N1S(=O)(=O)c2cccc(c2)C(F)(F)F

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.