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Fluticasone

CAT: 1299-RM-F122000-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F122000-04Size:100 mg
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CAS Number
90566-53-3
Synonyms
(6S,8S,9R,10S,11S,13S,14S,16R,17R) -S- (fluoromethyl) 6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioate
Molecular Formula
C22H27F3O4S
Molecular Weight
444.51
Target Alternative Name
Fluticasone
Product Name Synonym
(6S,8S,9R,10S,11S,13S,14S,16R,17R) -S- (fluoromethyl) 6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioate

Chemical Information

Fluticasone

Fluticasone is a trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis. It has a role as an anti-asthmatic drug and an anti-allergic agent. It is a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 3-oxo-Delta(4) steroid, a fluorinated steroid, a corticosteroid and a thioester. It derives from a hydride of an androstane.

CAS Number90566-53-3
PubChem CID5311101
IUPAC NameS-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate
Molecular FormulaC22H27F3O4S
Molecular Weight444.5
XLogP3.2
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity861
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)O)C)O)F)C)F
InChI
InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKey
MGNNYOODZCAHBA-GQKYHHCASA-N
Chemical Structure
2D Structure
2D structure of Fluticasone
CAS: 90566-53-3
CID: 5311101
Formula: C22H27F3O4S
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass444.15821500
Monoisotopic Mass444.15821500
Topological Polar Surface Area99.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity861
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-F599456-5MGFluticasone
M27399-01Fluticasone furoate
B2096-50Fluticasone propionate
CS-T-103423Fluticasone-d3
HY-B0603RFluticasone (Standard)
HY-B0154-01Fluticasone (propionate)
sc-489892Fluticasone Acetate

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