Molecular Identity
Prednisone
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
PubChem CID: 5865
Prednisone is a synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid. It has a role as an anti-inflammatory drug, an antineoplastic agent, an immunosuppressive agent, an adrenergic agent and a prodrug. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-oxo steroid, an 11-oxo steroid, a C21-steroid and a 3-oxo-Delta(1),Delta(4)-steroid.
2D Structure
Properties
C21H26O5
Molecular Formula
358.40
Molecular Weight
g/mol
358.1780
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
91.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
764
Complexity
SMILES
Canonical SMILES
SMILES: CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34CIsomeric SMILES
SMILES: C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34CSynonyms(20)
prednisone53-03-2DehydrocortisoneDecortinDeltasoneMeticortenMetacortandracinSupercortilParacortDeltacortisoneColisoneDecortisylPrednisonOrasone1,2-Dehydrocortisone
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Prednisone
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