Basic information
- CAS
81674-79-5- Standard SMILES
COc1ccccc1OC1(C)OC(=O)c2ccccc2O1- InChIKey
PSVDIHULUCLEJE-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Overview
Guaimesal is a benzodioxine.
Names & identifiers
- Preferred name
- 2-(2-Methoxyphenoxy)-2-methyl-4H-1,3-benzodioxin-4-one
- IUPAC
- 2-(2-methoxyphenoxy)-2-methyl-1,3-benzodioxin-4-one
- English name
- Guaimesal
- Molecular formula
- C16H14O5
- Molecular weight
- 286.28
Names & synonyms
Guaimesal81674-79-5GuaimesalumK43273G1CW2-(2-methoxyphenoxy)-2-methyl-1,3-benzodioxan-4-oneMR-6932-(2-methoxyphenoxy)-2-methyl-4h-1,3-benzodioxin-4-oneRefChem:9091572-(2-methoxyphenoxy)-2-methyl-1,3-benzodioxin-4-oneGuaimesal [INN]4H-1,3-Benzodioxin-4-one,2-(2-methoxyphenoxy)-2-methyl-Guaimesalum [Latin]
Show more names
Acetylsalicylic Acid Impurity 309-(2-methoxyphenoxy)-9-methyl-8,10-dioxabicyclo[4.4.0]deca-1,3,5-trien -7-one
UNII-K43273G1CWGUAIMESAL [MART.]GUAIMESAL [WHO-DD]orb2815689SCHEMBL1650041CHEMBL2105115DTXSID00868622CHEBI:135184
Database identifiers
- CAS
81674-79-5- PubChem CID
- 71250
- DTXSID
DTXSID00868622- ChEMBL
CHEMBL2105115- ChEBI
CHEBI:135184
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- FDA UNII
- 43273 G1CW · K43273G1CW
Chemistry & industry
Applications
UsesGuaimesal is a potential aspirin prodrug and is a degradation product of acetylsalicylic acid displaying similar effects.
Suppliers3 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: Guaimesal is a benzodioxine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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