Metyrapone

Chemical Information
Metyrapone is an aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency. It has a role as a diagnostic agent, an antimetabolite and an EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor.
| CAS Number | 54-36-4 |
| PubChem CID | 4174 |
| IUPAC Name | 2-methyl-1,2-dipyridin-3-ylpropan-1-one |
| Molecular Formula | C14H14N2O |
| Molecular Weight | 226.27 |
| XLogP | 2 |
| Topological Polar Surface Area | 42.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 275 |
| Property | Value |
|---|---|
| Molecular Weight | 226.27 |
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 226.110613074 |
| Monoisotopic Mass | 226.110613074 |
| Topological Polar Surface Area | 42.9 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 275 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Alternative Products
| Catalog | Name |
|---|---|
| 456174-01 | Metyrapone |
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