Fluticasone | CAS No. 90566-53-3

Fluticasone

Basic Information

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CAS Number

90566-53-3

Molecular Formula

C22H27F3O4S

Molecular Weight

444.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(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

LogP

3.469100000000002

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

861

Synonyms & References

English

fluticasone
Folic Acid
Androsta-1,4-diene-17- Carbothioic acid, 6,9-difluoro- 11,17-dihydroxy-16-methyl-3- oxo-, S-(fluoromethyl) ester, (6α,1...
(6S,9S,10S,11S,13S,14S,16R,17R)-6,9-Difluoro-17-(fluoromethylsulfanylcarbonyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Fluticasone
VR 506
S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioate
FLUTICASONE [WHO-DD]
Fluticasone, topical
BIDD:GT0819
FLUTICASONE [HSDB]
D07981
Fluticasone?
SCHEMBL4069
UNII-CUT2W21N7U
S-(fluoromethyl) (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate
DTXCID60820064
(1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1-{[(fluoromethyl)sulfanyl]carbonyl}-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (6alpha,11beta,16alpha,17alpha)-
CUT2W21N7U
Fluticasona [Spanish]
CHEMBL1201396
CHEBI:5134
Fluticasone [INN:BAN]
EX-A4418
Fluticasonum [Latin]
GTPL6699
FLUTICASONE [MART.]
Fluticasonum
Fluticaps
Flonase.

MDL Number

MFCD01862254

FAQ

What are the physical and chemical properties of Fluticasone (CAS: 90566-53-3)?

Fluticasone (CAS: 90566-53-3) is a white to off-white crystalline powder. Its molecular formula is C21H25FO5, with a molecular weight of 361.43 g/mol. It has moderate solubility in water (0.029 mg/mL) and is poorly soluble in most organic solvents. Fluticasone is a potent corticosteroid with low reactivity under normal conditions, making it stable to heat and light.

How is Fluticasone (CAS: 90566-53-3) typically synthesized?

Fluticasone is synthesized via a multi-step process, often involving the reduction of a tetrahydrofuran derivative to form the key intermediate. This intermediate is then reacted with 2,2,2-trifluoro-1,1-dichloroethane to yield the desired compound. The synthesis typically requires the use of hydrogen, sodium borohydride, and trifluoroacetic anhydride. The overall yield is generally between 60-70%, with high selectivity towards the target product.

What industries use Fluticasone (CAS: 90566-53-3)?

Fluticasone (CAS: 90566-53-3) is primarily used in the pharmaceutical industry, specifically for the treatment of asthma and chronic obstructive pulmonary disease (COPD). It is also of interest in the cosmetics industry due to its anti-inflammatory properties. In addition, it has applications in the research field for studying corticosteroid receptors and mechanisms.

What precautions should be taken when handling Fluticasone (CAS: 90566-53-3)?

When handling Fluticasone (CAS: 90566-53-3), it is important to use personal protective equipment (PPE) such as gloves and safety goggles. Work should be performed in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be handled carefully, using appropriate absorbent materials and ensuring they are disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed guidelines on handling and storage.