CHEBI:31414 - clobetasol propionate

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ChEBI Name clobetasol propionate
ChEBI ID CHEBI:31414
Definition The 17-O-propionate ester of clobetasol. A potent corticosteroid, it is used to treat various skin disorders, including exzema and psoriasis.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:205078, CHEBI:282070
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Formula C25H32ClFO5
Net Charge 0
Average Mass 466.97000
Monoisotopic Mass 466.192
InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
InChIKey CBGUOGMQLZIXBE-XGQKBEPLSA-N
SMILES [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[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.
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ChEBI Ontology
Outgoing clobetasol propionate (CHEBI:31414) has functional parent clobetasol (CHEBI:205919)
clobetasol propionate (CHEBI:31414) has functional parent propionic acid (CHEBI:30768)
clobetasol propionate (CHEBI:31414) has role anti-inflammatory drug (CHEBI:35472)
clobetasol propionate (CHEBI:31414) is a 11β-hydroxy steroid (CHEBI:35346)
clobetasol propionate (CHEBI:31414) is a 20-oxo steroid (CHEBI:36885)
clobetasol propionate (CHEBI:31414) is a 3-oxo-Δ14-steroid (CHEBI:77166)
clobetasol propionate (CHEBI:31414) is a chlorinated steroid (CHEBI:77175)
clobetasol propionate (CHEBI:31414) is a fluorinated steroid (CHEBI:50830)
clobetasol propionate (CHEBI:31414) is a glucocorticoid (CHEBI:24261)
IUPAC Name
21-chloro-9-fluoro-11β-hydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate
Synonyms Sources
21-chloro-9-fluoro-11β,17-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionate ChemIDplus
clobetasol 17-propanoate ChEBI
clobetasol 17-propionate ChemIDplus
Manual Xrefs Databases
4452 DrugCentral
Clobetasol Wikipedia
D01272 KEGG DRUG
DB01013 DrugBank
View more database links
Registry Numbers Types Sources
25122-46-7 CAS Registry Number KEGG DRUG
25122-46-7 CAS Registry Number ChemIDplus
4769432 Beilstein Registry Number Beilstein
Last Modified
22 February 2017