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Substance Name: 2-Pyrrolidinone, 1-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)-5-ethoxy-
RN: 111711-54-7
InChIKey: SODWMIQNZDGMDF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-Cl-F3-N-O4-S

Molecular Weight

  • 371.7617
 
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Names and Synonyms

Synonyms

  • 1-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-5-ethoxy-2-pyrrolidinone
  • BRN 4764478

Systematic Name

  • 2-Pyrrolidinone, 1-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)-5-ethoxy-

Registry Numbers

CAS Registry Number

  • 111711-54-7

System Generated Number

  • 0111711547

Structure Descriptors

InChI

1S/C13H13ClF3NO4S/c1-2-22-12-6-5-11(19)18(12)23(20,21)8-3-4-10(14)9(7-8)13(15,16)17/h3-4,7,12H,2,5-6H2,1H3

InChIKey

SODWMIQNZDGMDF-UHFFFAOYSA-N

Smiles

CCOC1CCC(=O)N1S(=O)(=O)c2ccc(c(c2)C(F)(F)F)Cl

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.