CHEBI:59750 - diflorasone

ChEBI IDCHEBI:59750
ChEBI Namediflorasone
Stars
DefinitionThe 16β-analogue of flumethasone. It is used as the 17,21-diacetate as a topical anti-inflammatory and antipruritic in the treatment of various skin disorders.
Last Modified7 February 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H28F2O5
Net Charge0
Average Mass410.457
Monoisotopic Mass410.19048
SMILES[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1
InChIKeyWXURHACBFYSXBI-XHIJKXOTSA-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)
diflorasone (CHEBI:59750) has parent hydride pregnane (CHEBI:8386)
diflorasone (CHEBI:59750) has role anti-inflammatory drug (CHEBI:35472)
diflorasone (CHEBI:59750) is a 11β-hydroxy steroid (CHEBI:35346)
diflorasone (CHEBI:59750) is a 17α-hydroxy steroid (CHEBI:35342)
diflorasone (CHEBI:59750) is a 20-oxo steroid (CHEBI:36885)
diflorasone (CHEBI:59750) is a 21-hydroxy steroid (CHEBI:35344)
diflorasone (CHEBI:59750) is a 3-oxo-Δ14-steroid (CHEBI:77166)
diflorasone (CHEBI:59750) is a fluorinated steroid (CHEBI:50830)
diflorasone (CHEBI:59750) is a glucocorticoid (CHEBI:24261)
diflorasone (CHEBI:59750) is a primary α-hydroxy ketone (CHEBI:139590)
diflorasone (CHEBI:59750) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
diflorasone diacetate (CHEBI:31483) has functional parent diflorasone (CHEBI:59750)
IUPAC Name 
6α,9-difluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione
INNs  Source
diflorasonaChemIDplus
diflorasoneChemIDplus
diflorasonumChemIDplus
Synonym  Source
(6α,11β,16β)-6,9-difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dioneChEBI
Manual XrefsDatabases
D07827KEGG DRUG
DB00223DrugBank
GB881334Patent
GB898293Patent
US3557158Patent
GB912015Patent
DiflorasoneWikipedia
Registry NumbersSources
Beilstein:5645455Beilstein
CAS:2557-49-5KEGG DRUG
CAS:2557-49-5ChemIDplus