Basic information
- CAS
86696-88-0- Standard SMILES
CC(C)Cc1ccc(C(C)C(=O)OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1- InChIKey
ROZHWGHNJMGUJH-UHFFFAOYSA-N- Molecular formula
- C26H33F3N2O2
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.24941279
Names & identifiers
- Preferred name
- Frabuprofen
- IUPAC
- 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
- English name
- Frabuprofen
- Molecular formula
- C26H33F3N2O2
- Molecular weight
- 462.553
Names & synonyms
FrabuprofenFrabuprofen [INN]86696-88-0frabuprofenefrabuprofenoUNII-K0T69WUD4ZK0T69WUD4Z2-(4-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1-piperazinyl)ethyl (+-)-p-isobutylhydratropatefrabuprofenumRefChem:1414822-(4-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)-1-PIPERAZINYL)ETHYL (+-)-P-ISOBUTYLHYDRATROPATE2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
Show more names
2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-[4-(2-methylpropyl)phenyl]propanoateSCHEMBL2109661CHEMBL2105077DTXSID30868958ROZHWGHNJMGUJH-UHFFFAOYSA-NNS00125076Q272817912-(4-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)-1-PIPERAZINYL)ETHYL (+/-)-P-ISOBUTYLHYDRATROPATE
Database identifiers
- CAS
86696-88-0- PubChem CID
- 204091
- DTXSID
DTXSID30868958- ChEMBL
CHEMBL2105077- UNII
- K0T69WUD4Z
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- FDA UNII
- 0 T69WUD4Z · K0T69WUD4Z
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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