Beclomethasone

Chemical Information
Beclomethasone is a 17alpha-hydroxy steroid that is prednisolone in which the hydrogens at the 9alpha and 16beta positions are substituted by a chlorine and a methyl group, respectively. It has a role as an anti-inflammatory drug and an anti-asthmatic drug. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a corticosteroid, a 3-oxo-Delta(1),Delta(4)-steroid and a chlorinated steroid. It is functionally related to a prednisolone. It derives from a hydride of a pregnane.
| CAS Number | 4419-39-0 |
| PubChem CID | 20469 |
| IUPAC Name | (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| Molecular Formula | C22H29ClO5 |
| Molecular Weight | 408.9 |
| XLogP | 2.2 |
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 805 |
| Property | Value |
|---|---|
| Molecular Weight | 408.9 |
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 408.1703517 |
| Monoisotopic Mass | 408.1703517 |
| Topological Polar Surface Area | 94.8 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 805 |
| 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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