Aspalatone
Basic information
- CAS
147249-33-0- Standard SMILES
CC(=O)Oc1ccccc1C(=O)Oc1c(C)occc1=O- InChIKey
JVBIZYPCGNCWIT-UHFFFAOYSA-N- Molecular formula
- C15H12O6
- Average molar mass
- 288.25 g/mol
- Monoisotopic mass
- 288.0633881
Overview
structure given in first source
Names & identifiers
- Preferred name
- Aspalatone
- IUPAC
- (2-methyl-4-oxopyran-3-yl) 2-acetyloxybenzoate
- English name
- aspalatone
- Molecular formula
- C15H12O6
- Molecular weight
- 288.25
Names & synonyms
Aspalatone147249-33-0Acetylsalicylic acid maltol esterA233M007P0DTXSID90163638RefChem:114659DTXCID60861292-Methyl-4-oxo-4H-pyran-3-yl 2-(acetyloxy)benzoateAcetylsalicylic acid matol ester(2-methyl-4-oxopyran-3-yl) 2-acetyloxybenzoate2-Methyl-4-oxo-4H-pyran-3-yl 2-acetoxybenzoateUNII-A233M007P0
Show more names
Aspalatone Exclusive
orb1693969SCHEMBL1193595SCHEMBL31113422JVBIZYPCGNCWIT-UHFFFAOYSA-NBenzoic acid, 2-(acetyloxy)-, 2-methyl-4-oxo-4H-pyran-3-yl esterBK-111MFCD00871244AKOS040755098
Database identifiers
- CAS
147249-33-0- PubChem CID
- 197341
- DTXSID
DTXSID90163638- UNII
- A233M007P0
- Nikkaji
- J608.173H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:10): 0.1 mg/ml; Ethanol: 1 mg/ml
- form
- A crystalline solid
- FDA UNII
- 233 M007P0 · A233M007P0
Chemistry & industry
Applications
UsesAspalatone is an orally active antiplatelet aggregant with IC50 of 180 μM. Aspalatone has antioxidant and neuroprotective activities[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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