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Substance Name: Butanoic acid, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-3-oxo-, ethyl ester
RN: 10537-84-5
InChIKey: OJZBBHWBJOSQFI-XNTDXEJSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-O4

Molecular Weight

  • 346.464
 
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Names and Synonyms

Synonyms

  • beta-Ethoxycarbonyl-beta-acetyl-3,5-di-tert-butyl-4-hydroxystyrene
  • Ethyl 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-3-oxobutanoate

Systematic Name

  • Butanoic acid, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-3-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 10537-84-5

System Generated Number

  • 0010537845

Structure Descriptors

InChI

1S/C21H30O4/c1-9-25-19(24)15(13(2)22)10-14-11-16(20(3,4)5)18(23)17(12-14)21(6,7)8/h10-12,23H,9H2,1-8H3/b15-10+

InChIKey

OJZBBHWBJOSQFI-XNTDXEJSSA-N

Smiles

C(\C(C(C)=O)=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0057881,