Molecular Identity
Prednisolone
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
PubChem CID: 5755
Prednisolone is a glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. It has a role as an anti-inflammatory drug, an antineoplastic agent, a xenobiotic, an immunosuppressive agent, an adrenergic agent, a drug metabolite and an environmental contaminant. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a C21-steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a Delta(1)-progesterone.
2D Structure
Properties
C21H28O5
Molecular Formula
360.40
Molecular Weight
g/mol
360.1937
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
94.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
724
Complexity
SMILES
Canonical SMILES
SMILES: CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)OIsomeric SMILES
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)OSynonyms(20)
prednisolone50-24-8MetacortandraloneDeltacortrilDelta-CortefHydroretrocortineSteraneCodelcortoneCortaloneHydeltraPrenoloneDeltahydrocortisoneMeti-DermDeltacortenolDonisolone
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Prednisolone
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