Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11b)-

Basic Information

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CAS Number

52-21-1

Molecular Formula

C23H30O6

Molecular Weight

402.49 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

Melting Point

240-244?°C

Boiling Point

579.8°C at 760mmHg

Flash Point

198.4°C

Refractive Index

112 ° (C=1, Dioxane)

Vapor Pressure

7.36E-16mmHg at 25°C

Specific Rotation

+105 ~ +118° (c=1, Dioxane)

SMILES

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

InChI

InChI=1S/C23H30O6/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/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1

InChIKey

LRJOMUJRLNCICJ-JZYPGELDSA-N

LogP

2.1284

Topological Polar Surface Area

100.90000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

827

Safety Information

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GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

Pred Forte
11.BETA.,17-DIHYDROXY-3,20-DIOXOPREGNA-1,4-DIEN-21-YL ACETATE
Flo-Pred
PREDNISOLONE ACETATE [GREEN BOOK]
Prednisolone acetate, United States Pharmacopeia (USP) Reference Standard
EN300-19628782
Deltilen
NCGC00094765-01
CS-4642
Cormalone
Pred-G Liquifilm
D00980
component of Composone
Prednisolone acetate (Omnipred)
SCHEMBL7999
CCG-268673
HY-B1214
AC-2176
PREDSULFAIR COMPONENT PREDNISOLONE ACETATE
Cetapred Ointment
Prednisolone acetate (JP17/USP/INN)
AS-11673
CAS-52-21-1
PREDNISOLONE ACETATE COMPONENT OF NEO-DELTA-CORTEF
NSC-10966
prednisolone-acetate
CS-O-11052
MLS002548870
AB00443788-11
AKOS015960469
Delcort-E

MDL Number

MFCD00037710

Customs Code

2937210000

FAQ

What is Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11b)- (CAS: 52-21-1)?

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11b)- (CAS: 52-21-1) is a steroid compound with the chemical formula C22H32O5. It features a pregnane backbone with hydroxyl groups at positions 11 and 17, an acetyloxy group at position 21, and double bonds at 1-4 and 3-20. This compound is known for its structural similarity to corticosteroids and is often used as a synthetic intermediate in pharmaceutical research.

What are the main uses of Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11b)- (CAS: 52-21-1)?

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11b)- (CAS: 52-21-1) is primarily used in pharmaceuticals as a precursor for corticosteroid synthesis. It also serves in industrial applications involving steroid derivatives and in research for developing hormone-based drugs. Its utility stems from its chemical structure, which allows for modifications to create bioactive compounds.

Is Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11b)- (CAS: 52-21-1) safe?

Safety of Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11b)- (CAS: 52-21-1) depends on handling and exposure. Limited toxicity data exists, but it should be treated as a chemical intermediate requiring standard safety precautions. Avoid skin and inhalation contact, and follow OSHA guidelines for proper storage and disposal to ensure safe handling.

How should Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11b)- (CAS: 52-21-1) be stored?

Store Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11b)- (CAS: 52-21-1) in a cool, dry place (2-8°C), away from light and moisture. Use airtight, sealed containers to maintain stability. Avoid exposure to air and heat, and ensure proper labeling to comply with chemical storage safety standards.