4419-39-0
Product Name:
BECLOMETHASONE
Formula:
C22H29ClO5
Synonyms:
9α-Chloro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione;9α-Chloro-16β-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
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CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 189.2 Ų [M+H]+ [CCS Type: TW] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 408.9 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 408.1703517 g/mol |
| Monoisotopic Mass | 408.1703517 g/mol |
| 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 |
PRODUCT INTRODUCTION
description
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 an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 20-oxo steroid, a 21-hydroxy steroid, a corticosteroid, a glucocorticoid, a 3-oxo-Delta(1),Delta(4)-steroid, a chlorinated steroid, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It is functionally related to a prednisolone. It derives from a hydride of a pregnane.