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Substance Name: Acetoxyphenurone
RN: 13838-02-3
InChIKey: MDVVMENOOOZBJG-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-N2-O4

Molecular Weight

  • 236.226
 
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Names and Synonyms

Name of Substance

  • Acetoxyphenurone

Synonyms

  • 4-10-00-00577 (Beilstein Handbook Reference)
  • alpha-(Acetyloxy)-N-(aminocarbonyl)benzeneacetamide
  • alpha-Acetoxy-phenylacetylharnstoff
  • alpha-Acetoxy-phenylacetylharnstoff [German]
  • alpha-Acetoxyphenurone
  • alpha-Acetoxyphenylacetylurea
  • BRN 3344274
  • Mandeloylurea acetate (ester)

Systematic Names

  • Benzeneacetamide, alpha-(acetyloxy)-N-(aminocarbonyl)- (9CI)
  • Urea, alpha-acetoxyphenylacetyl-
  • Urea, mandeloyl-, acetate (ester) (8CI)

Registry Numbers

CAS Registry Number

  • 13838-02-3

System Generated Number

  • 0013838023

Structure Descriptors

InChI

1S/C11H12N2O4/c1-7(14)17-9(10(15)13-11(12)16)8-5-3-2-4-6-8/h2-6,9H,1H3,(H3,12,13,15,16)

InChIKey

MDVVMENOOOZBJG-UHFFFAOYSA-N

Smiles

N(C([C@@H](OC(=O)C)c1ccccc1)=O)C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1900mg/kg (1900mg/kg)   Acta Biologica et Medica Germanica. Vol. 2, Pg. 335, 1959.
rabbit LD50 oral 800mg/kg (800mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

LIVER: FATTY LIVER DEGERATION

BEHAVIORAL: COMA
Experimentelle Pathologie Vol. 4, Pg. 185, 1970.
rat LD50 oral 2100mg/kg (2100mg/kg)   Acta Biologica et Medica Germanica. Vol. 2, Pg. 335, 1959.