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Substance Name: o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester
RN: 102395-98-2
InChIKey: VRFGYUJCWQTRBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-O3

Molecular Weight

  • 208.2554
 
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Names and Synonyms

Synonyms

  • 3-Ethyl-4-hydroxy-o-toluic acid ethyl ester
  • Benzoic acid, 3-ethyl-4-hydroxy-2-methyl-, ethyl ester
  • BRN 2577270
  • Ethyl 4-hydroxy-3-ethyl-2-methylbenzoate

Systematic Name

  • o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester

Registry Numbers

CAS Registry Number

  • 102395-98-2

System Generated Number

  • 0102395982

Structure Descriptors

InChI

1S/C12H16O3/c1-4-9-8(3)10(6-7-11(9)13)12(14)15-5-2/h6-7,13H,4-5H2,1-3H3

InChIKey

VRFGYUJCWQTRBE-UHFFFAOYSA-N

Smiles

C(c1c(c(c(cc1)O)CC)C)(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 770mg/kg (770mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 213, 1960.