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Substance Name: Benzoic acid, 3-((2-ethoxy-5-oxo-1-pyrrolidinyl)sulfonyl)-, methyl ester
RN: 111711-77-4
InChIKey: JVIJGLWKOSWMFI-UHFFFAOYSA-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

  • BRN 4762553
  • Methyl 3-((2-ethoxy-5-oxo-1-pyrrolidinyl)sulfonyl)benzoate

Systematic Name

  • Benzoic acid, 3-((2-ethoxy-5-oxo-1-pyrrolidinyl)sulfonyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 111711-77-4

System Generated Number

  • 0111711774

Structure Descriptors

InChI

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

InChIKey

JVIJGLWKOSWMFI-UHFFFAOYSA-N

Smiles

CCOC1CCC(=O)N1S(=O)(=O)c2cccc(c2)C(=O)OC

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.