(16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione | CAS No. 54063-32-0

(16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione

Basic Information

CAS Number

54063-32-0

Molecular Formula

C22H26ClFO4

Molecular Weight

408.9 g/mol

AD

Basic Physical Properties

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(=O)CC2(C1(C(=O)CCl)O)C)F)C

InChI

InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1

InChIKey

XXIFVOHLGBURIG-OZCCCYNHSA-N

LogP

3.3504000000000023

Topological Polar Surface Area

71.44 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

850

Synonyms & References

English

  • GTPL9088
  • UNII-LT69WY1J6D
  • PREGNA-1,4-DIENE-3,11,20-TRIONE, 21-CHLORO-9-FLUORO-16-METHYL-17-HYDROXY-, (16.BETA.)-
  • EN300-19844879
  • LT69WY1J6D
  • DB13158
  • Clobetasone
  • (8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
  • (1R,2S,3aS,3bS,9aS,9bR,11aS)-1-(2-chloroacetyl)-9b-fluoro-1-hydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
  • D07717
  • Clobetasona
  • 21-CHLORO-9-FLUORO-17-HYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,11,20-TRIONE
  • A903652
  • XXIFVOHLGBURIG-OZCCCYNHSA-N
  • 54063-32-0
  • (8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-luoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
  • Clobetasonum
  • Q5134764
  • CLOBETASONE BUTYRATE IMPURITY A [EP IMPURITY]
  • Clobetasona [INN-Spanish]
  • CLOBETASONE [INN]
  • CLOBETASONE [WHO-DD]
  • NS00009291
  • EINECS 258-953-5
  • Clobetasone [INN:BAN]
  • DTXSID601023875
  • 21-chloro-9alpha-fluoro-17alpha-hydroxy-16beta-methylpregna-1,4-diene-3,11,20-trione
  • SCHEMBL3581
  • CLOBETASONE [MI]
  • CHEBI:177795
  • 21-Chlor-9-fluor-17-hydroxy-16beta-methyl-1,4-pregnadien-3,11,20-trion

MDL Number

MFCD03695617

FAQ

What are the physical and chemical properties of (16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione (CAS: 54063-32-0)?

(16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione is a crystalline compound with a molecular weight of approximately 519.78 g/mol. It has low water solubility and is poorly soluble in water. The compound is reactive, particularly towards nucleophiles and can undergo hydrolysis under basic conditions. It is stable under normal storage conditions but reacts with bases and oxidizing agents.

How is (16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione (CAS: 54063-32-0) typically synthesized?

(16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione is synthesized through a complex multi-step process involving the modification of steroid precursors. Common synthetic routes include stereoselective reductions, chlorination, fluorination, and hydroxylation reactions. Catalysts such as palladium or platinum complexes are often used to achieve high selectivity and yield.

What industries use (16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione (CAS: 54063-32-0)?

(16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione is primarily used in the pharmaceutical industry for the development of new drugs. It may also find applications in research and development for hormone-related therapies and in the synthesis of other bioactive compounds.

What precautions should be taken when handling (16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione (CAS: 54063-32-0)?

When handling (16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione, ensure the use of appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents and the area thoroughly decontaminated. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.

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