Eplerenone

Chemical Information
Eplerenone is an epoxy steroid, a methyl ester, a gamma-lactone, an oxaspiro compound, an organic heteropentacyclic compound, a steroid acid ester and a 3-oxo-Delta(4) steroid. It has a role as an antihypertensive agent and an aldosterone antagonist. It derives from a hydride of a pregnane.
| CAS Number | 107724-20-9 |
| PubChem CID | 443872 |
| IUPAC Name | methyl (1R,2S,9R,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate |
| Molecular Formula | C24H30O6 |
| Molecular Weight | 414.5 |
| XLogP | 1.4 |
| Topological Polar Surface Area | 82.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 907 |
| Property | Value |
|---|---|
| Molecular Weight | 414.5 |
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 414.20423867 |
| Monoisotopic Mass | 414.20423867 |
| Topological Polar Surface Area | 82.2 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 907 |
| 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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