CHEBI:3002 - beclomethasone dipropionate

ChEBI IDCHEBI:3002
ChEBI Namebeclomethasone dipropionate
Stars
DefinitionA steroid ester comprising beclomethasone having propionyl groups at the 17- and 21-positions.
Last Modified22 February 2017
DownloadsMolfile
FormulaC28H37ClO7
Net Charge0
Average Mass521.050
Monoisotopic Mass520.22278
SMILES[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
InChIKeyKUVIULQEHSCUHY-XYWKZLDCSA-N
Wikipedia
Roles Classification
Biological Role:
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:
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
anti-arrhythmia drug  A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
anti-asthmatic drug  A drug used to treat asthma.
ChEBI Ontology
Outgoing Relation(s)
beclomethasone dipropionate (CHEBI:3002) has functional parent beclomethasone (CHEBI:3001)
beclomethasone dipropionate (CHEBI:3002) has role anti-arrhythmia drug (CHEBI:38070)
beclomethasone dipropionate (CHEBI:3002) has role anti-asthmatic drug (CHEBI:49167)
beclomethasone dipropionate (CHEBI:3002) has role anti-inflammatory drug (CHEBI:35472)
beclomethasone dipropionate (CHEBI:3002) has role prodrug (CHEBI:50266)
beclomethasone dipropionate (CHEBI:3002) is a 11β-hydroxy steroid (CHEBI:35346)
beclomethasone dipropionate (CHEBI:3002) is a 20-oxo steroid (CHEBI:36885)
beclomethasone dipropionate (CHEBI:3002) is a 3-oxo-Δ14-steroid (CHEBI:77166)
beclomethasone dipropionate (CHEBI:3002) is a chlorinated steroid (CHEBI:77175)
beclomethasone dipropionate (CHEBI:3002) is a corticosteroid (CHEBI:50858)
beclomethasone dipropionate (CHEBI:3002) is a enone (CHEBI:51689)
beclomethasone dipropionate (CHEBI:3002) is a glucocorticoid (CHEBI:24261)
beclomethasone dipropionate (CHEBI:3002) is a propanoate ester (CHEBI:36243)
beclomethasone dipropionate (CHEBI:3002) is a steroid ester (CHEBI:47880)
IUPAC Name 
(11β,16β)-9-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate
Synonyms  Source
Beclomethasone dipropionateKEGG COMPOUND
Beclometasone dipropionateKEGG COMPOUND
9-chloro-11β-hydroxy-16β-methylpregna-1,4-diene-3,20-dione 17,21-dipropionateChemIDplus
(11β,16β)-9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dioneChemIDplus
beclometasone 17,21-dipropionateChemIDplus
9-chloro-16β-methyl-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-dipropionateChemIDplus
Brand Names  Source
ViaroxDrugBank
Rino-ClenilDrugBank
VancenaseDrugBank
AnceronDrugBank
BeclacinDrugBank
BecloventDrugBank
Manual XrefsDatabases
C07813KEGG COMPOUND
D00689KEGG DRUG
DB00394DrugBank
US3312590Patent
Beclometasone_dipropionateWikipedia
294DrugCentral
Registry NumbersSources
Reaxys:3638107Reaxys
CAS:5534-09-8KEGG COMPOUND
CAS:5534-09-8ChemIDplus
Citations