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Substance Name: Aspalatone
RN: 147249-33-0
UNII: A233M007P0
InChIKey: JVBIZYPCGNCWIT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-O6

Molecular Weight

  • 288.2538
 
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Names and Synonyms

Name of Substance

  • Aspalatone

Synonyms

  • 2-Methyl-4-oxo-4H-pyran-3-yl 2-(acetyloxy)benzoate
  • Acetylsalicylic acid maltol ester
  • Aspalatone
  • UNII-A233M007P0

Systematic Name

  • Benzoic acid, 2-(acetyloxy)-, 2-methyl-4-oxo-4H-pyran-3-yl ester

Registry Numbers

CAS Registry Number

  • 147249-33-0

FDA UNII

  • A233M007P0

System Generated Number

  • 0147249330

Structure Descriptors

InChI

1S/C15H12O6/c1-9-14(12(17)7-8-19-9)21-15(18)11-5-3-4-6-13(11)20-10(2)16/h3-8H,1-2H3

InChIKey

JVBIZYPCGNCWIT-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccccc1C(=O)OC2=C(C)OC=CC2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2100mg/kg (2100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1122, 1994.