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 Number	90566-53-3
PubChem CID	5311101
IUPAC Name	S-(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 Formula	C22H27F3O4S
Molecular Weight	444.5
XLogP	3.2
Topological Polar Surface Area	99.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	861

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

CAS: 90566-53-3

CID: 5311101

Formula: C22H27F3O4S

MW: 444.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	444.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	444.15821500
Monoisotopic Mass	444.15821500
Topological Polar Surface Area	99.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	861
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-F599456-5MG	Fluticasone
M27399-01	Fluticasone furoate
B2096-50	Fluticasone propionate
CS-T-103423	Fluticasone-d3
HY-B0603R	Fluticasone (Standard)
HY-B0154-01	Fluticasone (propionate)
sc-489892	Fluticasone Acetate

Fluticasone

Chemical Information

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