51333-22-3
Product Name:
Budesonide
Formula:
C25H34O6
Synonyms:
16,17-Butylidenebis(oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals |
| Boiling Point | 599.7 |
| Melting Point | 226°C |
| Solubility | Practically insoluble in water |
| LogP | 1.914 |
| Stability/Shelf Life | Chemical stability: Stable under recommended storage conditions. |
| Optical Rotation | Specific optical rotation: +98.9 deg at 25 °C/D (c = 0.28 in methylene chloride) |
| Collision Cross Section | 204.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Mixture of 2 isomers; the content of the S-isomer in the mixture varies between 40-51% |
COMPUTED DESCRIPTORS
| Molecular Weight | 430.5 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 430.23553880 g/mol |
| Monoisotopic Mass | 430.23553880 g/mol |
| Topological Polar Surface Area | 93.1 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 862 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Budesonide is a glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis. It has a role as an anti-inflammatory drug, a bronchodilator agent and a drug allergen. It is an 11beta-hydroxy steroid, a glucocorticoid, a cyclic acetal, a 20-oxo steroid, a 21-hydroxy steroid, a 3-oxo-Delta(1),Delta(4)-steroid and a primary alpha-hydroxy ketone. It derives from a hydride of a pregnane.