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 Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
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-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.
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.
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
anti-asthmatic drug  A drug used to treat asthma.
antifibrotic agent  Any agent which acts to reduce fibrosis.
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
anti-asthmatic agent  Any compound that has anti-asthmatic effects.
nasal decongestant  A drug used to relieve nasal congestion in the upper respiratory tract.
anti-allergic agent  A drug used to treat allergic reactions.
ChEBI Ontology
Outgoing Relation(s)
beclomethasone dipropionate (CHEBI:3002) has functional parent beclomethasone (CHEBI:3001)
beclomethasone dipropionate (CHEBI:3002) has role anti-allergic agent (CHEBI:50857)
beclomethasone dipropionate (CHEBI:3002) has role anti-arrhythmia drug (CHEBI:38070)
beclomethasone dipropionate (CHEBI:3002) has role anti-asthmatic agent (CHEBI:65023)
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 antifibrotic agent (CHEBI:233423)
beclomethasone dipropionate (CHEBI:3002) has role antiinfective agent (CHEBI:35441)
beclomethasone dipropionate (CHEBI:3002) has role antineoplastic agent (CHEBI:35610)
beclomethasone dipropionate (CHEBI:3002) has role antiviral agent (CHEBI:22587)
beclomethasone dipropionate (CHEBI:3002) has role nasal decongestant (CHEBI:77715)
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
(11β,16β)-9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dioneChemIDplus
9-chloro-11β-hydroxy-16β-methylpregna-1,4-diene-3,20-dione 17,21-dipropionateChemIDplus
9-chloro-16β-methyl-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-dipropionateChemIDplus
beclometasone 17,21-dipropionateChemIDplus
Beclometasone dipropionateKEGG COMPOUND
Beclomethasone dipropionateKEGG COMPOUND
Brand Names  Source
AerobecDrugBank
Aerobec 100ChEMBL
Aerobec 50ChEMBL
Aerobec fte 250ChEMBL
AldecinDrugBank
AnceronDrugBank
Manual XrefsDatabases
294DrugCentral
Beclometasone_dipropionateWikipedia
C07813KEGG COMPOUND
D00689KEGG DRUG
DB00394DrugBank
US3312590Patent
Registry NumbersSources
Reaxys:3638107Reaxys
CAS:5534-09-8ChemIDplus
CAS:5534-09-8KEGG COMPOUND
Citations