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Substance Name: 2-Pyrrolidinone, 5-ethoxy-1-((3-(trifluoromethyl)phenyl)sulfonyl)-
RN: 111711-57-0
InChIKey: IRFAAQZNCFVTRS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-F3-N-O4-S

Molecular Weight

  • 337.3166
 
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Names and Synonyms

Synonyms

  • 5-Ethoxy-1-((3-(trifluoromethyl)phenyl)sulfonyl)-2-pyrrolidinone
  • BRN 4762564
  • RTECS VL6636000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111711-57-0

System Generated Number

  • 0111711570

Structure Descriptors

InChI

1S/C13H14F3NO4S/c1-2-21-12-7-6-11(18)17(12)22(19,20)10-5-3-4-9(8-10)13(14,15)16/h3-5,8,12H,2,6-7H2,1H3

InChIKey

IRFAAQZNCFVTRS-UHFFFAOYSA-N

Smiles

CCOC1CCC(=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.