Methylprednisolone

Chemical Information
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.
| CAS Number | 83-43-2 |
| PubChem CID | 6741 |
| IUPAC Name | (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 |
| Molecular Formula | C22H30O5 |
| Molecular Weight | 374.5 |
| XLogP | 1.9 |
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 754 |
| Property | Value |
|---|---|
| Molecular Weight | 374.5 |
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 374.20932405 |
| Monoisotopic Mass | 374.20932405 |
| Topological Polar Surface Area | 94.8 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 754 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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