Flufenisal
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Basic information
- CAS
22494-27-5- Standard SMILES
CC(=O)Oc1ccc(-c2ccc(F)cc2)cc1C(=O)O- InChIKey
XKSAJZSJKURQRX-UHFFFAOYSA-N- Molecular formula
- C15H11FO4
- Average molar mass
- 274.24 g/mol
- Monoisotopic mass
- 274.06413699
Overview
Flufenisal is a small molecule drug. Flufenisal has a monoisotopic molecular weight of 274.06 Da.
Names & identifiers
- Preferred name
- Flufenisal
- IUPAC
- 2-acetyloxy-5-(4-fluorophenyl)benzoic acid
- English name
- Flufenisal
- Molecular formula
- C15H11FO4
- Molecular weight
- 274.24
Names & synonyms
FLUFENISAL22494-27-54U3WU1RD0WDTXSID30177017flufenisalumRefChem:1085408DTXCID20995082-acetyloxy-5-(4-fluorophenyl)benzoic acid4'-Fluoro-4-hydroxy-3-biphenylcarboxylic acid acetate(1,1'-Biphenyl)-3-carboxylic acid, 4-(acetyloxy)-4'-fluoro-[1,1'-Biphenyl]-3-carboxylicacid, 4-(acetyloxy)-4'-fluoro-Flufenisal [USAN:INN]
Show more names
MK-835Flufenisal USP/EP/BP4'-Fluoro-4-acetyloxy-1,1'-biphenyl-3-carboxylic acid[1,1'-Biphenyl]-3-carboxylic acid, 4-(acetyloxy)-4'-fluoro-
4-Acetoxy-4'-fluoro-[1,1'-biphenyl]-3-carboxylic acidUNII-4U3WU1RD0WFLUFENISAL [INN]Flufenisal (USAN/INN)FLUFENISAL [USAN]SCHEMBL38781CHEMBL2104904XKSAJZSJKURQRX-UHFFFAOYSA-N
Database identifiers
- CAS
22494-27-5- PubChem CID
- 31185
- DTXSID
DTXSID30177017- ChEMBL
CHEMBL2104904- UNII
- 4U3WU1RD0W
- Nikkaji
- J11.499E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
DrugsPharmaceuticals -> Musculo-skeletal system -> Anti-inflammatory and antirheumatic products
Physicochemical properties
- Melting point
- 134 · 134-137 °C
- Boiling point
- 437.4 · 437.4±45.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.10(Predicted)
- FDA UNII
- 4 U3WU1RD0W · 4U3WU1RD0W
Chemistry & industry
Applications
UsesAnalgesic.
Related reactions
3 records
Compound notes
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