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Substance Name: Butyric acid, 2-acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester
RN: 680-09-1
InChIKey: QSJYRVSERRYRMJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-F6-O4

Molecular Weight

  • 296.162
 
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Names and Synonyms

Synonyms

  • 2-Acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl ester
  • BRN 1914874

Systematic Name

  • Butyric acid, 2-acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 680-09-1

System Generated Number

  • 0000680091

Structure Descriptors

InChI

1S/C9H10F6O4/c1-3-19-6(17)5(4(2)16)7(18,8(10,11)12)9(13,14)15/h5,18H,3H2,1-2H3

InChIKey

QSJYRVSERRYRMJ-UHFFFAOYSA-N

Smiles

C([C@@H](C(OCC)=O)C(C)=O)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.
mouse LD50 oral 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.