Molecular Identity
Methylprednisolone Acetate
[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
PubChem CID: 5877
Methylprednisolone acetate is an acetate ester resulting from the formal condensation of the 21-hydroxy function of 6alpha-methylprednisolone compound with acetic acid. It has a role as an anti-inflammatory drug. It is a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, an acetate ester, a steroid ester and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a 6alpha-methylprednisolone.
2D Structure
Properties
C24H32O6
Molecular Formula
416.50
Molecular Weight
g/mol
416.2199
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
858
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)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)COC(=O)C)OSynonyms(20)
Methylprednisolone acetate53-36-1Depo-medrolDepo-MedrateM-PredrolMedrol acetateDepo-MedroneMethylprednisolone 21-acetate6alpha-Methylprednisolone acetateD-Med6alpha-Methylprednisolone 21-acetateDepo-Methylprednisolone acetateDTXSID7023302Methyl prednisolone acetate11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
Data from PubChem (NCBI)
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Trials and conditions connected to Methylprednisolone Acetate
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