CHEBI:31441 - fluticasone propionate

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ChEBI Name fluticasone propionate
ChEBI ID CHEBI:31441
Definition A trifluorinated corticosteroid that consits of 6α,9-difluoro-11β,17α-dihydroxy-17β-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a propionyl substituent at position 17; has anti-inflammatory, anti-asthmatic and anti-allergic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Secondary ChEBI IDs CHEBI:63600
Supplier Information
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Formula C25H31F3O5S
Net Charge 0
Average Mass 500.57185
Monoisotopic Mass 500.184
InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
InChIKey WMWTYOKRWGGJOA-CENSZEJFSA-N
SMILES [H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
Roles Classification
Biological Role(s): adrenergic agent
Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter.
Application(s): anti-allergic agent
A drug used to treat allergic reactions.
anti-asthmatic drug
A drug used to treat asthma.
anti-inflammatory drug
A substance that reduces or suppresses inflammation.
adrenergic agent
Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter.
dermatologic drug
A drug used to treat or prevent skin disorders or for the routine care of skin.
bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
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ChEBI Ontology
Outgoing fluticasone propionate (CHEBI:31441) has functional parent fluticasone (CHEBI:5134)
fluticasone propionate (CHEBI:31441) has parent hydride androstane (CHEBI:35509)
fluticasone propionate (CHEBI:31441) has role adrenergic agent (CHEBI:37962)
fluticasone propionate (CHEBI:31441) has role anti-allergic agent (CHEBI:50857)
fluticasone propionate (CHEBI:31441) has role anti-asthmatic drug (CHEBI:49167)
fluticasone propionate (CHEBI:31441) has role anti-inflammatory drug (CHEBI:35472)
fluticasone propionate (CHEBI:31441) has role bronchodilator agent (CHEBI:35523)
fluticasone propionate (CHEBI:31441) has role dermatologic drug (CHEBI:50177)
fluticasone propionate (CHEBI:31441) is a 11β-hydroxy steroid (CHEBI:35346)
fluticasone propionate (CHEBI:31441) is a 3-oxo-Δ14-steroid (CHEBI:77166)
fluticasone propionate (CHEBI:31441) is a corticosteroid (CHEBI:50858)
fluticasone propionate (CHEBI:31441) is a fluorinated steroid (CHEBI:50830)
fluticasone propionate (CHEBI:31441) is a propanoate ester (CHEBI:36243)
fluticasone propionate (CHEBI:31441) is a steroid ester (CHEBI:47880)
fluticasone propionate (CHEBI:31441) is a thioester (CHEBI:51277)
IUPAC Name
6α,9-difluoro-17β-{[(fluoromethyl)sulfanyl]carbonyl}-11β-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17α-yl propanoate
Synonym Source
Fluticasone propionate KEGG COMPOUND
Brand Name Source
Cutivate DrugBank
Manual Xrefs Databases
1225 DrugCentral
D01708 KEGG DRUG
DB00588 DrugBank
Fluticasone_Propionate Wikipedia
NL8100707 Patent
US4335121 Patent
View more database links
Registry Numbers Types Sources
6944704 Reaxys Registry Number Reaxys
6944704 Beilstein Registry Number Beilstein
80474-14-2 CAS Registry Number ChemIDplus
Last Modified
22 February 2017