fluticasone propionate   

GtoPdb Ligand ID: 7080

Synonyms: Advair Diskus® | ArmonAir RespiClickTM | CCI-18781 | Flovent®
fluticasone propionate is an approved drug (FDA (1996))
Compound class: Synthetic organic
Comment: Fluticasone propionate is a corticosteroid, high affinity and selective glucocorticoid receptor agonist.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 105.97
Molecular weight 500.18
XLogP 3.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES FCSC(=O)C1(OC(=O)CC)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F
Isomeric SMILES FCSC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F
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
InChI Key WMWTYOKRWGGJOA-CENSZEJFSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
IUPAC Name
[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
International Nonproprietary Names
INN number INN
5636 fluticasone
Synonyms
Advair Diskus® | ArmonAir RespiClickTM | CCI-18781 | Flovent®
Database Links
CAS Registry No. 80474-14-2
ChEMBL Ligand CHEMBL1473
DrugBank Ligand DB00588
DrugCentral Ligand 1225
GtoPdb PubChem SID 178103659
PubChem CID 444036
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Wikipedia Fluticasone propionate

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Tocris
Fluticasone propionate
Cat. No. 2007