Flunoxaprofen isocyanate
Basic information
- CAS
125836-69-3- Standard SMILES
C[C@H](N=C=O)c1ccc2oc(-c3ccc(F)cc3)nc2c1- InChIKey
UFVXLFRBVOVOFV-JTQLQIEISA-N- Molecular formula
- C16H11FN2O2
- Average molar mass
- 282.27 g/mol
- Monoisotopic mass
- 282.08045576
Overview
structure given in first source
Names & identifiers
- Preferred name
- Flunoxaprofen isocyanate
- IUPAC
- 2-(4-fluorophenyl)-5-[(1S)-1-isocyanatoethyl]-1,3-benzoxazole
- English name
- flunoxaprofen isocyanate
- Molecular formula
- C16H11FN2O2
- Molecular weight
- 282.27
Names & synonyms
Flunoxaprofen isocyanate125836-69-3DTXSID40154955RefChem:140854DTXCID90774462-(4-fluorophenyl)-5-[(1S)-1-isocyanatoethyl]-1,3-benzoxazole(S)-2-(4-Fluorophenyl)-5-(1-isocyanatoethyl)benzoxazoleBenzoxazole, 2-(4-fluorophenyl)-5-(1-isocyanatoethyl)-, (S)-(S)-1-[[2-(4-Fluorophenyl)benzoxazol]-5-yl]ethyl isocyanateBenzoxazole, 2-(4-fluorophenyl)-5-(1-isocyanatoethyl)-, (S)- (9CI)
Database identifiers
- CAS
125836-69-3- PubChem CID
- 5487320
- DTXSID
DTXSID40154955- Nikkaji
- J413.193B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Chemistry & industry
Applications
DescriptionFlunoxaprofen isocyanate is a chiral nonsteroidal anti-inflammatory drug (NSAID) that is closely related to naproxen. Flunoxaprofen has been shown to significantly improve the symptoms of osteoarthritis and rheumatoid arthritis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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