Molecular Identity
Dexamethasone
(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
PubChem CID: 5743
Dexamethasone is a fluorinated steroid that is 9-fluoropregna-1,4-diene substituted by hydroxy groups at positions 11, 17 and 21, a methyl group at position 16 and oxo groups at positions 3 and 20. It is a synthetic member of the class of glucocorticoids. It has a role as an anti-inflammatory drug, an antineoplastic agent, a xenobiotic, an immunosuppressive agent, an adrenergic agent, an antiemetic and an environmental contaminant. It is a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a fluorinated steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It derives from a hydride of a pregnane.
2D Structure
Properties
C22H29FO5
Molecular Formula
392.50
Molecular Weight
g/mol
392.1999
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
94.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
805
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)CIsomeric SMILES
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)CSynonyms(20)
dexamethasone50-02-2DecadronAeroseb-DexCortisummanCalonatDecadermDexacortalDexacortinPrednisolone FFluormethylprednisoloneDeltafluoreneHexadecadrolSuperprednolVisumetazone
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dexamethasone
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