(11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate | CAS No. 72064-79-0

(11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate

Basic Information

CAS Number

72064-79-0

Molecular Formula

C28H38O7

Molecular Weight

486.61 g/mol

AD

Basic Physical Properties

Boiling Point

502.49°C (rough estimate)

Density

1.1134 (rough estimate)

Refractive Index

1.5800 (estimate)

CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)C

InChI

InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1

InChIKey

DGYSDXLCLKPUBR-SLPNHVECSA-N

LogP

3.869500000000003

Topological Polar Surface Area

106.97 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

980

Synonyms & References

English

  • PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-11-HYDROXY-17-((1-OXOPENTYL)OXY)-, (11.BETA.)-
  • Prednisolone valerate acetate (JAN)
  • prednisolone 21-acetate 17-valerate
  • D03301
  • Q-101384
  • NCGC00532510-01
  • Prednival Acetate (Prednisolone 17-Valerate 21-Acetate)
  • 72064-79-0
  • Prednisolone 17-valerate 21-acetate
  • (8S,9S,10R,11S,13S,14S,17R)-17-(2-Acetoxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl pentanoate
  • 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-acetate 17-valerate
  • prednisolone valerate acetate
  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-((1-oxopentyl)oxy)-, (11-beta)-
  • BRN 2713941
  • CHEBI:135785
  • SCHEMBL375318
  • [(8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate
  • (11beta)-21-(Acetyloxy)-11-hydroxy-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
  • 21-(Acetyloxy)-11-beta-hydroxy-17-((1-oxopentyl)oxy)pregna-1,4-diene-3,20-dione
  • PREDNISOLONE VALEROACETATE [WHO-DD]
  • 11-beta,17-alpha,21-Trihydroxy-1,4-pregnadiene-3,20-dione 21-acetate 17-valerate
  • Spirazon (TN)
  • Q27254822
  • AKOS027378800
  • UNII-2JB27QJW3D
  • Prednisolone valerate acetate [JAN]
  • NS00037324
  • EINECS 276-312-8
  • 11.BETA.,17.ALPHA.,21-TRIHYDROXY-1,4-PREGNADIENE-3,20-DIONE 21-ACETATE 17-VALERATE
  • Lidomex
  • (11beta)-21-(acetyloxy)-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate

MDL Number

MFCD00868950

FAQ

What are the physical and chemical properties of (11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate (CAS: 72064-79-0)?

(11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate is a solid with a crystalline form. Its molecular weight is approximately 484.5 g/mol. The compound has limited water solubility and is highly reactive towards nucleophiles. It is susceptible to hydrolysis and oxidation under basic and acidic conditions, respectively.

How is (11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate (CAS: 72064-79-0) typically synthesized?

(11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate is synthesized via a multi-step process involving acetylation, hydroxylation, and esterification. This process requires specific catalysts and conditions to achieve high yield and selectivity. Commonly, the synthesis involves starting materials such as progesterone and acetic anhydride under controlled laboratory conditions.

What industries use (11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate (CAS: 72064-79-0)?

(11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate is primarily used in the pharmaceutical industry as an intermediate in drug synthesis. It may also have applications in research and development for various purposes including but not limited to biological studies and chemical synthesis processes.

What precautions should be taken when handling (11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate (CAS: 72064-79-0)?

When handling (11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl valerate, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and heat sources. Work under a fume hood to minimize exposure to potential vapors. In case of a spill, follow standard laboratory safety protocols and refer to the Safety Data Sheet (SDS) for detailed instructions.

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