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Substance Name: 2-Pyrrolidinone, 3-(acetyloxy)-5-ethoxy-1-(phenylsulfonyl)-, trans-
RN: 120256-75-9
InChIKey: BGXBBWNTWUBMSI-CHWSQXEVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N-O6-S

Molecular Weight

  • 327.3553
 
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Names and Synonyms

Synonyms

  • 1-Benzenesulfonyl-2-oxo-3-acetoxy-5-ethoxypyrrolidine
  • trans-3-(Acetyloxy)-5-ethoxy-1-(phenylsulfonyl)-2-pyrrolidinone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120256-75-9

System Generated Number

  • 0120256759

Structure Descriptors

InChI

1S/C14H17NO6S/c1-3-20-13-9-12(21-10(2)16)14(17)15(13)22(18,19)11-7-5-4-6-8-11/h4-8,12-13H,3,9H2,1-2H3/t12-,13-/m1/s1

InChIKey

BGXBBWNTWUBMSI-CHWSQXEVSA-N

Smiles

CCO[C@@H]1C[C@H](C(=O)N1S(=O)(=O)c2ccccc2)OC(=O)C

Toxicity

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