Dexbudesonide

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Dexbudesonide are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Dexbudesonide?

The molecule Dexbudesonide presents a molecular formula of C₂₅H₃₄O₆ and its IUPAC name is (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one.

DEXBUDESONIDE (trade name Pulmicort Respules) is a potent, long-acting, synthetic corticosteroid with anti-inflammatory and immunosuppressive properties. It is used in the treatment of asthma and other pulmonary disorders. Dexbudesonide is a white to off-white, odorless powder that is insoluble in water..

The chemical structure of dexamethasone is: C22H27FO5.

Dexbudesonide is a prodrug of budesonide, which is rapidly and almost completely converted to budesonide in the liver following oral administration. The anti-inflammatory and immunosuppressive activities of dexbudesonide are attributable to budesonide..

The pharmacokinetics of dexbudesonide have been investigated in healthy volunteers and asthmatic patients. Following oral administration of dexamethasone, peak plasma concentrations of budesonide are achieved within 2-3 hours. The bioavailability of budesonide following oral administration of dexamethasone is approximately 100%..

The elimination half-life of budesonide is approximately 2 hours. Budesonide is excreted in the urine and feces as metabolites..

Dexbudesonide is indicated for the treatment of asthma in adults and children 6 years of age and older. Dexbudesonide is also indicated for the prevention of exercise-induced bronchospasm in adults and children 6 years of age and older..

The usual starting dose of dexbudesonide for the treatment of asthma is 2 mg (1 mL) twice daily. The dose may be increased to 4 mg (2 mL) twice daily if needed. The usual starting dose of dexbudesonide for the prevention of exercise-induced bronchospasm is 2 mg (1 mL) taken 30 minutes before exercise..

Dexbudesonide should be taken with food. Dexbudesonide should be used with caution in patients with liver disease. The safety and efficacy of dexbudesonide have not been established in children less than 6 years of age..

Possible side effects of dexbudesonide include headache, nausea, vomiting, diarrhea, dyspepsia, and abdominal pain. Dexbudesonide should be used with caution in patients with a history of gastrointestinal bleeding..

Dexbudesonide is a potent, long-acting, synthetic corticosteroid with anti-inflammatory and immunosuppressive properties. It is used in the treatment of asthma and other pulmonary disorders. Dexbudesonide is a white to off-white, odorless powder that is insoluble in water..

The chemical structure of dexamethasone is: C22H27FO5.

Dexbudesonide is a prodrug of budesonide, which is rapidly and almost completely converted to budesonide in the liver following oral administration. The anti-inflammatory and immunosuppressive activities of dexbudesonide are attributable to budesonide..

The pharmacokinetics of dexbudesonide have been investigated in healthy volunteers and asthmatic patients. Following oral administration of dexamethasone, peak plasma concentrations of budesonide are achieved within 2-3 hours. The bioavailability of budesonide following oral administration of dexamethasone is approximately 100%..

The elimination half-life of budesonide is approximately 2 hours. Budesonide is excreted in the urine and feces as metabolites..

Dexbudesonide is indicated for the treatment of asthma in adults and children 6 years of age and older. Dexbudesonide is also indicated for the prevention of exercise-induced bronchospasm in adults and children 6 years of age and older..

The usual starting dose of dexbudesonide for the treatment of asthma is 2 mg (1 mL) twice daily. The dose may be increased to 4 mg (2 mL) twice daily if needed. The usual starting dose of dexbudesonide for the prevention of exercise-induced bronchospasm is 2 mg (1 mL) taken 30 minutes before exercise..

Dexbudesonide should be taken with food. Dexbudesonide should be used with caution in patients with liver disease. The safety and efficacy of dexbudesonide have not been established in children less than 6 years of age..

Possible side effects of dexbudesonide include headache, nausea, vomiting, diarrhea, dyspepsia, and abdominal pain. Dexbudesonide should be used with caution in patients with a history of gastrointestinal bleeding..

3D structure

Cartesian coordinates

Geometry of Dexbudesonide in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

Molecule descriptors

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

Reference codes for other databases

• CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
• Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
• ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
• PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
• RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
• ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
• CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.

Physico-Chemical properties

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (K_ow) data is applied in toxicology and drug research. K_ow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(K_ow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Ų are required. Thus, molecules with a polar surface area greater than 140 Ų tend to be poorly permeable to cell membranes.