(11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate hydrate (1:1) | CAS No. 55812-90-3

(11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate hydrate (1:1)

Basic Information

CAS Number

55812-90-3

Molecular Formula

C24H33FO7

Molecular Weight

452.52 g/mol

AD

Basic Physical Properties

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

InChI

InChI=1S/C24H31FO6.H2O/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26;/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3;1H2/t13-,17+,18+,19+,21+,22+,23+,24+;/m1./s1

InChIKey

DPHFJXVKASDMBW-RQRKFSSASA-N

LogP

1.6418

Topological Polar Surface Area

132.4 Ų

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

910

Synonyms & References

English

  • Decadronal (TN)
  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11, 17-dihydroxy-16-methyl, monohydrate, (11 beta, 16 alpha)
  • DEXAMETHASONE ACETATE
  • Dexamethasone 21-acetate monohydrate
  • UNII-DWN2WN457X
  • DEXAMETHASONE ACETATE MONOHYDRATE [WHO-DD]
  • DTXSID20204402
  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl, monohydrate, (11beta,16alpha)-
  • DEXAMETHASONE ACETATE [JAN]
  • DEXAMETHASONE ACETATE MONOHYDRATE [ORANGE BOOK]
  • DEXAMETHASONE ACETATE MONOHYDRATE [WHO-IP]
  • Dexamethasone acetate hydrate
  • Dexamethasone acetate [USAN:USP:BAN:JAN]
  • 55812-90-3
  • Dexamethasone acetate monohydrate
  • D02174
  • Dexamethasone acetate (JAN/USP)
  • [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;hydrate
  • dexamethasone -21-acetate monohydrate
  • PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9-FLUORO-11,17-DIHYDROXY-16-METHYL-, (11.BETA.,16.ALPHA.)-, MONOHYDRATE
  • 9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate, monohydrate
  • Q27276643
  • DWN2WN457X
  • SCHEMBL22527650
  • AKOS040744765
  • DEXAMETHASONE ACETATE [USAN]
  • DEXAMETHASONI ACETAS MONOHYDRATE [WHO-IP LATIN]
  • Dexamethason 21-acetat-1-wasser
  • Dexamethasone Acetate
  • [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate,hydrate
  • DEXAMETHASONE ACETATE, MONOHYDRATE

FAQ

What are the physical and chemical properties of (11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate hydrate (CAS: 55812-90-3)?

This compound is a hydrate and crystalline in form. It has a molecular weight of approximately 517.61 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and methanol. Chemically, it reacts readily with bases and has a relatively low reactivity towards acids. It is stable in the absence of moisture and light.

How is (11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate hydrate (CAS: 55812-90-3) typically synthesized?

This compound is typically synthesized via a multi-step process involving the reduction of a fluoro-pregnanone, followed by acetylation and hydration. The synthesis involves the use of a palladium catalyst for the reduction step, ensuring high selectivity and yield. The final step involves the addition of acetic acid and water to form the hydrate.

What industries use (11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate hydrate (CAS: 55812-90-3)?

This compound is primarily used in the pharmaceutical industry due to its hormonal properties. It is also of interest in the research and development of new drug candidates for various endocrine-related disorders. Its unique chemical structure makes it valuable in the synthesis of progestogens and other hormonal drugs.

What precautions should be taken when handling (11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate hydrate (CAS: 55812-90-3)?

Handling this compound requires the use of personal protective equipment (PPE) such as gloves and safety goggles. It should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be managed carefully, and the material safety data sheet (MSDS) should be consulted for specific spill procedures. The compound is stable under normal conditions but should be stored away from moisture and light.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...