Gestrinone | CAS No. 16320-04-0

Gestrinone

Basic Information

View in Editor

CAS Number

16320-04-0

Molecular Formula

C21H24O2

Molecular Weight

308.4 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 Nitriles

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

150-152°C

Boiling Point

388.8°C (rough estimate)

Refractive Index

1.4900 (estimate)

Specific Rotation

D20 +84.6° (c = 0.41 in methanol)

SMILES

View in Editor

CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O

InChI

InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1

InChIKey

BJJXHLWLUDYTGC-ANULTFPQSA-N

LogP

3.169

Complexity

713

Synonyms & References

English

HY-101405
AKOS015894932
D90768
13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,9,11-trien-20-yn-3-one
SCHEMBL217651
Tox21_112461
BRN 5610726
A 46745
1421533RCM
Gestrinonum [INN-Latin]
CAS-16320-04-0
Gestrinone (1mg/ml in Acetonitrile)
18,19-Dinor-17-alpha-pregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-
Pregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)-
J-010018
Q3761406
13-Ethyl-17a-ethynyl-17b-hydroxygona-4,9,11-trien-3-one
CHEBI:89642
Dimetrose
DTXCID603094
Gestrinona
Gestrinone [USAN:INN:BAN]
BDBM50423515
(17a)-13-ethyl-17-hydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one
(17alpha)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,9,11-trien-20-yn-3-one
A 46 745
DB11619
Gestrigone
A-46745
GESTRINONE [MI]
13-Ethyl-17-alpha-ethinyl-17-hydroxygon-4,9,11-trien-3-one

MDL Number

MFCD00865561

FAQ

What regulatory guidelines apply to Gestrinone (CAS: 16320-04-0)?

Gestrinone (CAS: 16320-04-0) should comply with the REACH regulations in the European Union, as well as the Toxic Substances Control Act (TSCA) in the United States. It is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a category 2 precursor chemical, requiring strict control over its production, import, and export. Additionally, the FDA and EPA have specific requirements for handling and reporting any significant quantities of Gestrinone.

Are there alternatives to Gestrinone in synthesis?

Alternatives to Gestrinone in synthesis include using analogs such as metacresolone or other synthetic progestogens. Common alternative reagents like 17α-ethinyloxyestra-4,9-dien-3-one or other 17α-ethynylestradiol derivatives can be used as substitutes. These alternatives offer similar structural and pharmacological properties but may differ in synthesis complexity and cost.

What is the market or research trend for Gestrinone?

The market and research trends for Gestrinone indicate a focus on its potential therapeutic applications in endocrinology, particularly in the treatment of gynecological disorders. Recent research trends highlight its role in managing endometriosis and polycystic ovary syndrome. Market demand is driven by increasing awareness of these conditions and the need for effective hormonal treatments. However, ongoing research is necessary to understand its long-term effects and to develop safer and more effective alternatives.

How should waste containing Gestrinone (CAS: 16320-04-0) be handled?

Waste containing Gestrinone (CAS: 16320-04-0) should be collected in appropriate containers labeled with the correct hazard classification. Proper incineration or professional waste disposal services should be used to ensure the chemical is handled safely. Environmental protection precautions should include preventing spillage and ensuring proper ventilation during handling. Compliance with local and international regulations is essential to avoid environmental contamination and health risks.