(11beta)-11,17-Dihydroxy-21-(((2E,6E)-3,7,11-trimethyl-1-oxo-2,6,10-dodecatrien-1-yl)oxy)pregna-1,4-diene-3,20-dione
Basic information
- CAS
118244-44-3- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
SBQAKZYUNWNIRL-WIPKXTQKSA-N- Molecular formula
- C36H50O6
- Average molar mass
- 578.8 g/mol
- Monoisotopic mass
- 578.36073931
Overview
Prednisolone farnesylate is an organic molecular entity.
Names & identifiers
- Preferred name
- (11beta)-11,17-Dihydroxy-21-(((2E,6E)-3,7,11-trimethyl-1-oxo-2,6,10-dodecatrien-1-yl)oxy)pregna-1,4-diene-3,20-dione
- IUPAC
- [2-[(8S,9S,10R,11S,13S,14S,17R)-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] (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
- English name
- prednisolone farnesylate
- Molecular formula
- C36H50O6
- Molecular weight
- 578.78
Names & synonyms
Prednisolone farnesylate118244-44-3DTXSID0057625PNF 21359F2816ERDTXCID103141411 beta,17 alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienoateRefChem:905622(11beta)-11,17-Dihydroxy-21-(((2E,6E)-3,7,11-trimethyl-1-oxo-2,6,10-dodecatrien-1-yl)oxy)pregna-1,4-diene-3,20-dione[2-[(8S,9S,10R,11S,13S,14S,17R)-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] (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoatePNF21PREDNISOLONE FARNESIL
Show more names
Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[[(2E,6E)-3,7,11-trimethyl-1-oxo-2,6,10-dodecatrien-1-yl]oxy]-, (11β)-
Prednisolone farnesylate (JAN)FarnezonePREDNISOLONE FARNESYLATE [JAN]CCRIS 6595Farnerate gelPNF-21UNII-359F2816ERFarnerate (TN)
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,250
Physicochemical properties
- Boiling point
- 712.5 · 712.5±60.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 12.31 · 12.31±0.70(Predicted)
- FDA UNII
- 359 F2816ER · 359F2816ER
Chemistry & industry
Applications
UsesPrednisolone farnesylate (PNF21) is a new transdermal corticosteroid with anti-inflammatory activity.
Additional notes
DefinitionChEBI: Prednisolone farnesylate is an organic molecular entity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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