Basic information
- CAS
56933-61-0- Standard SMILES
CCCCCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
KZMKFAJYVZNKJS-DGAWKMIRSA-N- Molecular formula
- C28H39FO6
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.27306712
Names & identifiers
- Preferred name
- 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-hexanoate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate
- English name
- 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-hexanoate
- Molecular formula
- C28H39FO6
- Molecular weight
- 490.61
Names & synonyms
56933-61-0EINECS 260-452-1Dexamethasone-21-hexanoate9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-hexanoateDTXSID60972370NS000539299-Fluoro-11beta,17-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-21-yl hexanoate9-Fluoro-11β,17-dihydroxy-16β-methyl-21-[(1-oxohexyl)oxy]pregna-1,4-diene-3,20-dione
Database identifiers
- CAS
56933-61-0- PubChem CID
- 92580
- DTXSID
DTXSID60972370- EC Number
- 260-452-1
- Nikkaji
- J267.143C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 972
Physicochemical properties
- Boiling point
- 616.979 · 616.979±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.231 · 1.231±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.986 · 11.986±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…