Basic information
- CAS
87549-36-8- Standard SMILES
CC(=O)Nc1ccc(OC2(C)OC(=O)c3ccccc3O2)cc1- InChIKey
ZAPRLADYRFPQSH-UHFFFAOYSA-N- Molecular formula
- C17H15NO5
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.09502258
Names & identifiers
- Preferred name
- Parcetasal
- IUPAC
- N-[4-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)oxy]phenyl]acetamide
- English name
- MR 897
- Molecular formula
- C17H15NO5
- Molecular weight
- 313.3
Names & synonyms
Parcetasal87549-36-8Parcetasal [INN]ParcetasalumParcetasalum [INN-Latin]UNII-3LSZ7869T23LSZ7869T2PARCETASAL [WHO-DD]Parcetasalum (INN-Latin)(+-)-4'-((2-Methyl-4-oxo-1,3-benzodioxan-2-yl)oxy)acetanilideAcetamide, N-(4-((2-methyl-4-oxo-4H-1,3-benzadioxin-2-yl)oxy)-phenyl)-ACETAMIDE, N-(4-((2-METHYL-4-OXO-4H-1,3-BENZODIOXIN-2-YL)OXY)PHENYL)-
Show more names
MR 897 ParcetasalParcetasal, 10 mM in DMSOAcetylsalicylic Acid Impurity 32Inhibitor,Parcetasal,MR897,inhibit,MR 8972-Methyl-2-[4-(acetylamino)phenoxy]-4H-1,3-benzodioxin-4-oneAcetamide, N-[4-[(2-methyl-4-oxo-4H-1,3-benzodioxin-2-yl)oxy]phenyl]-
RefChem:170051MR-897N-[4-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)oxy]phenyl]acetamideMR 897N-(4-((2-Methyl-4-oxo-4H-benzo[d][1,3]dioxin-2-yl)oxy)phenyl)acetamide149703-47-9SCHEMBL379733orb1309281
Database identifiers
- CAS
87549-36-8- PubChem CID
- 65656
- ChEMBL
CHEMBL2105451- UNII
- 3LSZ7869T2
- Nikkaji
- J339.291K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to light yellow
- FDA UNII
- 3 LSZ7869T2 · 3LSZ7869T2
Chemistry & industry
Applications
UsesParcetasal is a cyclic ester between Acetylsalicylic Acid (A187780) and Paracetamol (A161220), and by enzymatic hydrolysis it is broken down into acetylsalicylic acid, salicylic acid and paracetamol metabolites.
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陌孚医药科技有限公司4000862158 18117107507 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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