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Substance Name: Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester
RN: 59697-80-2
InChIKey: FWOOQMMHLXHORO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-O3

Molecular Weight

  • 250.336
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-2-(alpha-hydroxybenzyl)butyric acid, ethyl ester
  • 4-10-00-00756 (Beilstein Handbook Reference)
  • BRN 2127278
  • MC 2339

Systematic Name

  • Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 59697-80-2

System Generated Number

  • 0059697802

Structure Descriptors

InChI

1S/C15H22O3/c1-4-15(5-2,14(17)18-6-3)13(16)12-10-8-7-9-11-12/h7-11,13,16H,4-6H2,1-3H3

InChIKey

FWOOQMMHLXHORO-UHFFFAOYSA-N

Smiles

C([C@@H](c1ccccc1)O)(C(OCC)=O)(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 676mg/kg (676mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 547, 1954.