Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-

Basic Information

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CAS Number

125-10-0

Molecular Formula

C23H28O6

Molecular Weight

400.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

230-240°C

Specific Rotation

D25 +186° (dioxane)

SMILES

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CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C)O

InChI

InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1

InChIKey

MOVRKLZUVNCBIP-RFZYENFJSA-N

LogP

2.3366

Topological Polar Surface Area

97.74000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

869

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MLS001164126
MFCD00200229
D08416
Prednisone, 21-acetate
U 6167
Delcortin
delta1-Cortisone-21-acetate
NSC 10965
Prednisone 21-acetate
EINECS 204-726-0
125-10-0
21-(Acetyloxy)-17-hydroxy-pregna-1,4-diene-3,11,20-trione
OU93QEL83U
1,4-Pregnadien-17.alpha.,21-diol-3,11,20-trione-21-acetate
DB14646
PREDNISONE IMPURITY E [EP IMPURITY]
17-Hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl acetate
PREDNISONE 21-ACETATE [MI]
1,4-Pregnadien-17alpha,21-diol-3,11,20-trione-21-acetate
Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-
EN300-23248413
.DELTA.'-Dehydrocortisone acetate
CHEBI:34655
Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-, 21-acetate
SMR000539571
.delta.-Corlin
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
PREDNISONE ACETATE [MART.]
MLS002638169
CS-0013902
NS00024024

MDL Number

MFCD00200229

Customs Code

2937210000

FAQ

What is Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy- (CAS: 125-10-0)?

Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy- (CAS: 125-10-0) is a steroid derivative with a hydroxyl group at position 17 and an acetyloxy group at position 21. It features a pregnane skeleton with three ketone groups (at positions 3, 11, and 20) and is commonly used as a chemical intermediate in pharmaceutical synthesis. Its molecular formula is C22H34O5, and it exhibits stability under standard conditions, though sensitivity to moisture and light may vary depending on the derivative form.

What are the main uses of Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy- (CAS: 125-10-0)?

Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy- (CAS: 125-10-0) is primarily utilized in pharmaceutical research for synthesizing corticosteroids and hormone-related drugs. It also serves as an industrial chemical intermediate and is studied in biochemical research for its role in steroid metabolism. Additionally, it may be applied in the development of anti-inflammatory and immunosuppressive agents due to its structural similarity to natural steroids.

Is Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy- (CAS: 125-10-0) safe?

Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy- (CAS: 125-10-0) is generally considered safe when handled properly, but it requires caution due to potential irritancy. Safety data suggests it should be used in well-ventilated areas, with gloves and eye protection to prevent skin or mucous membrane contact. Always follow standard chemical safety protocols, as its toxicity profile may depend on specific derivative forms and exposure routes.

How should Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy- (CAS: 125-10-0) be stored?

Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy- (CAS: 125-10-0) should be stored in a cool, dry place (ideally 20°C or below), protected from light and moisture. Keep in a sealed, airtight container to maintain stability and prevent degradation. Avoid exposure to air and store away from incompatible substances to ensure long-term chemical integrity.