Fluprednisolone acetate
Basic information
- CAS
570-36-5- Standard SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
CYMBAKFTWRNHPS-APRQOCPKSA-N- Molecular formula
- C23H29FO6
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.1948168
Names & identifiers
- Preferred name
- Fluprednisolone acetate
- IUPAC
- [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- English name
- 6alpha-Fluoroprednisolone acetate
- Molecular formula
- C23H29FO6
- Molecular weight
- 420.47
Names & synonyms
fluprednisolone acetate5YEO81H7EGFLUPREDNISOLONE ACETATE [WHO-DD]6alpha-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate6.ALPHA.-FLUORO-11.BETA.,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE2-[(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-5-fluoro-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate2-((1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-5-fluoro-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl)-2-oxoethyl acetateRefChem:599455209-330-1570-36-56alpha-Fluoroprednisolone-21-acetate[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Show more names
6α-FLUPREDNISOLONEACETATE6alpha-Fluprednisolone acetate6alpha-fluoroprednisolone acetate6ALPHA-FLUPREDNISOLONE ACETATE,97%MIN21-Acetoxy-6α-fluoro-11β,17-dihydroxypregna-1,4-diene-3,20-dione6a-fluoro-11b,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetatePregna-1,4-diene-3,20-dione, 21-(acetyloxy)-6-fluoro-11,17-dihydroxy-, (6α,11β)- (9CI)
EINECS 209-330-1UNII-5YEO81H7EGSCHEMBL3688125DTXSID90205608AKOS025401949DB14637AC-27496FF102549
Database identifiers
- CAS
570-36-5- PubChem CID
- 101772
- DTXSID
DTXSID90205608- UNII
- 5YEO81H7EG
- EC Number
- 209-330-1
- Nikkaji
- J188.436K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 864
Physicochemical properties
- Melting point
- 238 · 238-242 °C
- Boiling point
- 581.5 · 581.5±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 12.26 · 12.26±0.70(Predicted)
- FDA UNII
- 5 YEO81H7EG · 5YEO81H7EG
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