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CHEBI:3207 - budesonide

Default Structure
ChEBI IDCHEBI:3207
ChEBI Namebudesonide
Stars
DefinitionA 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.
Last Modified7 March 2019
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILES[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
InChIKeyVOVIALXJUBGFJZ-KWVAZRHASA-N
Wikipedia
Roles Classification
Biological Roles:
drug allergen  Any drug which causes the onset of an allergic reaction.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
Applications:
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
drug allergen  Any drug which causes the onset of an allergic reaction.
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
ChEBI Ontology
Outgoing Relation(s)
budesonide (CHEBI:3207) has parent hydride pregnane (CHEBI:8386)
budesonide (CHEBI:3207) has role anti-inflammatory drug (CHEBI:35472)
budesonide (CHEBI:3207) has role bronchodilator agent (CHEBI:35523)
budesonide (CHEBI:3207) has role drug allergen (CHEBI:88188)
budesonide (CHEBI:3207) is a 11β-hydroxy steroid (CHEBI:35346)
budesonide (CHEBI:3207) is a 20-oxo steroid (CHEBI:36885)
budesonide (CHEBI:3207) is a 21-hydroxy steroid (CHEBI:35344)
budesonide (CHEBI:3207) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
budesonide (CHEBI:3207) is a cyclic acetal (CHEBI:59770)
budesonide (CHEBI:3207) is a glucocorticoid (CHEBI:24261)
budesonide (CHEBI:3207) is a primary α-hydroxy ketone (CHEBI:139590)
IUPAC Name 
11β,21-dihydroxy-16α,17α-(butane-1,1-diyldioxy)pregna-1,4-diene-3,20-dione
INN  Source
budesonideKEGG DRUG
Synonym  Source
(11β,16α)-16,17-(Butylidenebis(oxy))-11,21-dihydroxypregna-1,4-diene-3,20-dioneChemIDplus
Manual XrefsDatabases
419DrugCentral
BudesonideWikipedia
D00246KEGG DRUG
DB01222DrugBank
DE2323215Patent
US3929768Patent
Registry NumbersSources
CAS:51333-22-3KEGG DRUG
CAS:51333-22-3ChemIDplus
Citations