fluticasone furoate (CHEBI:74899)

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CHEBI:74899 - fluticasone furoate

ChEBI ID	CHEBI:74899
ChEBI Name	fluticasone furoate
Stars
Definition	A trifluorinated corticosteroid that consists of 6α,9-difluoro-11β,17α-dihydroxy-17β-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a 2-furoyl substituent at position 17. Used in combination with vilanterol trifenate for treatment of bronchospasm associated with chronic obstructive pulmonary disease.
Last Modified	22 February 2017
Submitter	Steve
Downloads	Molfile

Formula	C27H29F3O6S
Net Charge	0
Average Mass	538.584
Monoisotopic Mass	538.16369
SMILES	[H][C@@]12C[C@@H](C)[C@](OC(=O)c3ccco3)(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@@]21C
InChI	InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1
InChIKey	XTULMSXFIHGYFS-VLSRWLAYSA-N

Wikipedia

Roles Classification

Applications:

prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.

anti-allergic agent A drug used to treat allergic reactions.

anti-asthmatic drug A drug used to treat asthma.

ChEBI Ontology

Outgoing Relation(s)
	fluticasone furoate (CHEBI:74899) has functional parent fluticasone (CHEBI:5134)
	fluticasone furoate (CHEBI:74899) has parent hydride androstane (CHEBI:35509)
	fluticasone furoate (CHEBI:74899) has role anti-allergic agent (CHEBI:50857)
	fluticasone furoate (CHEBI:74899) has role anti-asthmatic drug (CHEBI:49167)
	fluticasone furoate (CHEBI:74899) has role prodrug (CHEBI:50266)
	fluticasone furoate (CHEBI:74899) is a 11β-hydroxy steroid (CHEBI:35346)
	fluticasone furoate (CHEBI:74899) is a 2-furoate ester (CHEBI:50856)
	fluticasone furoate (CHEBI:74899) is a 3-oxo-Δ¹,Δ⁴-steroid (CHEBI:77166)
	fluticasone furoate (CHEBI:74899) is a corticosteroid (CHEBI:50858)
	fluticasone furoate (CHEBI:74899) is a fluorinated steroid (CHEBI:50830)
	fluticasone furoate (CHEBI:74899) is a steroid ester (CHEBI:47880)
	fluticasone furoate (CHEBI:74899) is a thioester (CHEBI:51277)
Incoming Relation(s)
Incoming Relation(s)	Breo Ellipta (CHEBI:75043) has part fluticasone furoate (CHEBI:74899)

IUPAC Name
6α,9-difluoro-17β-{[(fluoromethyl)sulfanyl]carbonyl}-11β-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17α-yl 2-furoate

INNs	Source
fluticasone furoate	KEGG DRUG
fluticasonum furoas	WHO MedNet
furoate de fluticasone	WHO MedNet
furoato de fluticasona	WHO MedNet

Synonym	Source
GSK 685698	ChemIDplus

Brand Name	Source
Veramyst	KEGG DRUG

Manual Xrefs	Databases
D06315	KEGG DRUG
GW6	PDBeChem
Fluticasone_furoate	Wikipedia
WO2012160338	Patent
WO2011151625	Patent
US2009118495	Patent
WO2011151624	Patent
WO2010016931	Patent
4554	DrugCentral

Registry Numbers	Sources
Reaxys:15686794	Reaxys
CAS:397864-44-7	KEGG DRUG
CAS:397864-44-7	ChemIDplus

Citations