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Substance Name: Acetoacetic acid, 2,4-diphenyl-, ethyl ester
RN: 2901-29-3
InChIKey: GVNHSMZHSWFYMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-O3

Molecular Weight

  • 282.337
 
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Names and Synonyms

Synonyms

  • 4-10-00-02995 (Beilstein Handbook Reference)
  • BRN 0669341
  • Ethyl alpha,gamma-diphenylacetoacetate
  • Ethyl beta-oxo-alpha-phenylbenzenebutanoate

Systematic Names

  • Acetoacetic acid, 2,4-diphenyl-, ethyl ester
  • Benzenebutanoic acid, beta-oxo-alpha-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 2901-29-3

System Generated Number

  • 0002901293

Structure Descriptors

InChI

1S/C18H18O3/c1-2-21-18(20)17(15-11-7-4-8-12-15)16(19)13-14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3

InChIKey

GVNHSMZHSWFYMB-UHFFFAOYSA-N

Smiles

C([C@@H](C(=O)OCC)c1ccccc1)(Cc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 214, 1954.