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Substance Name: Salicylic acid maltol ester
RN: 147249-34-1
InChIKey: KRSZHEVDRHWBEN-UHFFFAOYSA-N

Note

  • The deacetylated metabolite of aspalatone.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O5

Molecular Weight

  • 246.217
 
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Names and Synonyms

Name of Substance

  • Salicylic acid maltol ester

Synonyms

  • 2-Methyl-4-oxo-4H-pyran-3-yl 2-hydroxybenzoate
  • Salicylic acid maltol ester

Systematic Name

  • Benzoic acid, 2-hydroxy-, 2-methyl-4-oxo-4H-pyran-3-yl ester

Registry Numbers

CAS Registry Number

  • 147249-34-1

System Generated Number

  • 0147249341

Structure Descriptors

InChI

1S/C13H10O5/c1-8-12(11(15)6-7-17-8)18-13(16)9-4-2-3-5-10(9)14/h2-7,14H,1H3

InChIKey

KRSZHEVDRHWBEN-UHFFFAOYSA-N

Smiles

Cc1c(c(=O)cco1)OC(=O)c2ccccc2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 1122, 1994.