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CHEBI:31414 - clobetasol propionate

ChEBI IDCHEBI:31414
ChEBI Nameclobetasol propionate
Stars
DefinitionThe 17-O-propionate ester of clobetasol. A potent corticosteroid, it is used to treat various skin disorders, including exzema and psoriasis.
Secondary ChEBI IDsCHEBI:205078, CHEBI:282070
Last Modified22 February 2017
DownloadsMolfile
FormulaC25H32ClFO5
Net Charge0
Average Mass466.977
Monoisotopic Mass466.19223
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@@]21C
InChIInChI=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
InChIKeyCBGUOGMQLZIXBE-XGQKBEPLSA-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.
Application:
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
ChEBI Ontology
Outgoing Relation(s)
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-Δ1,Δ4-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  Source
21-chloro-9-fluoro-11β,17-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionateChemIDplus
clobetasol 17-propionateChemIDplus
clobetasol 17-propanoateChEBI
Manual XrefsDatabases
D01272KEGG DRUG
DB01013DrugBank
ClobetasolWikipedia
4452DrugCentral
Registry NumbersSources
Beilstein:4769432Beilstein
CAS:25122-46-7KEGG DRUG
CAS:25122-46-7ChemIDplus