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Substance Name: Benzofuran, 3-acetyl-5-(hydroperoxyacetyl)-
RN: 35882-03-2
InChIKey: WKBUOKFWRRIHDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H10-O5

Molecular Weight

  • 234.206
 
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Names and Synonyms

Synonyms

  • 3-Acetyl-5-(hydroperoxyacetyl)benzofuran
  • Acetic acid, ((3-acetyl-5-benzofuranyl)oxy)-
  • Ketone, 3-acetylbenzofuran-5-yl hydroperoxymethyl

Systematic Name

  • Benzofuran, 3-acetyl-5-(hydroperoxyacetyl)-

Registry Numbers

CAS Registry Number

  • 35882-03-2

System Generated Number

  • 0035882032

Structure Descriptors

InChI

1S/C12H10O5/c1-7(13)10-5-17-11-3-2-8(4-9(10)11)16-6-12(14)15/h2-5H,6H2,1H3,(H,14,15)

InChIKey

WKBUOKFWRRIHDJ-UHFFFAOYSA-N

Smiles

C(COc1cc2c(coc2cc1)C(=O)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 204mg/kg (204mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 154, Pg. 131, 1965.
mouse LD50 oral 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 191, 1982.