Molecular Identity
Methylprednisolone
(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
PubChem CID: 6741
6alpha-methylprednisolone is the 6alpha-stereoisomer of 6-methylprednisolone. It has a role as an anti-inflammatory drug, a xenobiotic, an adrenergic agent, an antiemetic, a neuroprotective agent and an environmental contaminant. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone and a 6-methylprednisolone.
2D Structure
Properties
C22H30O5
Molecular Formula
374.50
Molecular Weight
g/mol
374.2093
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
94.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
754
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OIsomeric SMILES
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OSynonyms(20)
methylprednisolone83-43-2MedrateMedroneUrbason6alpha-MethylprednisoloneMetilbetasonePromacortineMetastabMetrisoneWyacortDopomedrolMedesoneNoretonaSuprametil
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Methylprednisolone
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