Budesonide
(1S,2S,4R,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
Molecular Identity
Budesonide
(1S,2S,4R,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
PubChem CID: 5281004
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 a primary alpha-hydroxy ketone, a glucocorticoid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a cyclic acetal and a 3-oxo-Delta(1),Delta(4)-steroid. It derives from a hydride of a pregnane.
2D Structure
Properties
C25H34O6
Molecular Formula
430.50
Molecular Weight
g/mol
430.2355
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
93.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
862
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)CIsomeric SMILES
SMILES: CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)CSynonyms(20)
budesonide51333-22-3PulmicortRhinocortEntocortPreferidRhinocort AquaEntocort ECUcerisPulmicort RespulesPulmicort FlexhalerBudenofalkBudesonidoBudesonidumPulmaxan
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Budesonide
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