CHEBI:3001 - beclomethasone

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ChEBI Name beclomethasone
ChEBI ID CHEBI:3001
Definition A 17α-hydroxy steroid that is prednisolone in which the hydrogens at the 9α and 16β positions are substituted by a chlorine and a methyl group, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7852707, eMolecules:475071, ZINC000005224354
Download Molfile XML SDF
Formula C22H29ClO5
Net Charge 0
Average Mass 408.91536
Monoisotopic Mass 408.17035
InChI InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
InChIKey NBMKJKDGKREAPL-DVTGEIKXSA-N
SMILES [H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Roles Classification
Biological Role(s): 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.
(via steroid hormone )
Application(s): anti-inflammatory drug
A substance that reduces or suppresses inflammation.
anti-asthmatic drug
A drug used to treat asthma.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing beclomethasone (CHEBI:3001) has functional parent prednisolone (CHEBI:8378)
beclomethasone (CHEBI:3001) has parent hydride pregnane (CHEBI:8386)
beclomethasone (CHEBI:3001) has role anti-asthmatic drug (CHEBI:49167)
beclomethasone (CHEBI:3001) has role anti-inflammatory drug (CHEBI:35472)
beclomethasone (CHEBI:3001) is a 11β-hydroxy steroid (CHEBI:35346)
beclomethasone (CHEBI:3001) is a 17α-hydroxy steroid (CHEBI:35342)
beclomethasone (CHEBI:3001) is a 20-oxo steroid (CHEBI:36885)
beclomethasone (CHEBI:3001) is a 21-hydroxy steroid (CHEBI:35344)
beclomethasone (CHEBI:3001) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
beclomethasone (CHEBI:3001) is a chlorinated steroid (CHEBI:77175)
beclomethasone (CHEBI:3001) is a corticosteroid (CHEBI:50858)
beclomethasone (CHEBI:3001) is a glucocorticoid (CHEBI:24261)
beclomethasone (CHEBI:3001) is a primary α-hydroxy ketone (CHEBI:139590)
beclomethasone (CHEBI:3001) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming beclomethasone dipropionate (CHEBI:3002) has functional parent beclomethasone (CHEBI:3001)
IUPAC Name
(11β,16β)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
INNs Sources
beclometasona ChemIDplus
beclometasone ChemIDplus
beclometasonum ChemIDplus
Synonyms Sources
9-chloro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione ChemIDplus
9α-chloro-16β-methylprednisolone ChEBI
Beclomethasone KEGG COMPOUND
Manual Xrefs Databases
C06842 KEGG COMPOUND
D07495 KEGG DRUG
DB00394 DrugBank
GB912378 Patent
View more database links
Registry Numbers Types Sources
4419-39-0 CAS Registry Number KEGG COMPOUND
4419-39-0 CAS Registry Number ChemIDplus
5640546 Reaxys Registry Number Reaxys
Last Modified
07 February 2018