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Substance Name: 2-Pyrrolidinone, 3,5-diethoxy-1-(phenylsulfonyl)-, trans-
RN: 120256-74-8
InChIKey: KDNRJXBCWHXSCW-CHWSQXEVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N-O5-S

Molecular Weight

  • 313.3721
 
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Names and Synonyms

Synonyms

  • trans-1-Benzenesulfonyl-2-oxo-3-ethoxy-5-ethoxypyrrolidine
  • trans-3,5-Diethoxy-1-(phenylsulfonyl)-2-pyrrolidinone

Systematic Name

  • 2-Pyrrolidinone, 3,5-diethoxy-1-(phenylsulfonyl)-, trans-

Registry Numbers

CAS Registry Number

  • 120256-74-8

System Generated Number

  • 0120256748

Structure Descriptors

InChI

1S/C14H19NO5S/c1-3-19-12-10-13(20-4-2)15(14(12)16)21(17,18)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-,13-/m1/s1

InChIKey

KDNRJXBCWHXSCW-CHWSQXEVSA-N

Smiles

CCO[C@@H]1C[C@H](N(C1=O)S(=O)(=O)c2ccccc2)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4885306,