3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate

Basic Information

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CAS Number

37413-91-5

Molecular Formula

C23H26O4

Molecular Weight

366.46 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

173-175°C

Boiling Point

534.6°Cat760mmHg

Density

1.21

Flash Point

233.1°C

Refractive Index

1.585

SMILES

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CC(=O)OCC(=O)C1=CCC2C1(CC=C3C2CCC4=CC(=O)C=CC43C)C

InChI

InChI=1S/C23H26O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h7-10,12,17-18H,4-6,11,13H2,1-3H3/t17-,18-,22-,23-/m0/s1

InChIKey

UFEOMHFPJREVTP-PTRHGPIFSA-N

LogP

3.882900000000003

Topological Polar Surface Area

60.440000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

856

Synonyms & References

English

HY-136340
PD157634
37413-91-5
2-[(3aS,3bS,9aS,11aS)-9a,11a-dimethyl-7-oxo-3H,3aH,3bH,4H,5H,7H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
W-106538
SCHEMBL8752386
DTXSID60190855
D92995
AKOS016003151
21-acetoxypregna-1,4,9(11),16(17)-tetraene-3,20-dione
AMY28659
CS-0128303
AS-69509
AC-8111
NS00030191
CHEMBL2348787
3,20-dioxopregna-1,4,9(11),16-tetraen-21-yl acetate
EINECS 253-497-3
BCP10593
21-Acetoxypregna-1,4,9(11),16-tetraene-3,20-dione
21-(acetyloxy)-pregna-1,4,9(11),16-tetraene-3,20-dione
21-Hydroxypregna-1,4,9(11),16-tetraene-3,20-dione 21-acetate
[2-[(8S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
A874119
Pregna-1,4,9(11),16-tetraene-3,20-dione, 21-(acetyloxy)-
Pregna-1,4,9(11),16-tetraene-3,20-dione,21-(acetyloxy)-
2-((8S,10S,13S,14S)-10,13-Dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
21-(Acetyloxy)-pregna-1,4,9(11),16-tetraene-3,20-dione
21-HYDROXYPREGNA-1,4,9(11),16-TETRAENE-3,20-DIONE-21-ACETATE
3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate
16-tetraene-3,20-dione 21-acetate

MDL Number

MFCD07783010

FAQ

What regulatory guidelines apply to 3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate (CAS: 37413-91-5)?

This compound requires adherence to regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for the European Union, and FDA and EPA requirements for handling and disposal in the United States. Specific documentation and safety measures are necessary to ensure compliance with these regulations.

Are there alternatives to 3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate in synthesis?

While 3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate is a specific compound, alternatives such as related steroid acetates or other synthetic intermediates can be explored. Common substitutes include progesterone acetate or testosterone acetate, which may serve similar functions in certain applications.

What is the market or research trend for 3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate?

Research trends for this compound are focused on its potential applications in pharmaceuticals, particularly in hormone therapy and research. Market demand is influenced by ongoing interest in steroid derivatives and their uses in medical treatments. Emerging trends include advancements in drug delivery systems and personalized medicine.

How should waste containing 3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate be handled?

Waste containing this compound should be handled through professional waste disposal services, following local regulations. Proper collection in sealed containers, followed by incineration or other appropriate methods, is essential to prevent environmental contamination. Safety precautions, such as proper labeling and training, are crucial during handling and disposal to ensure environmental and occupational safety.