(17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile

Basic Information

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CAS Number

77881-13-1

Molecular Formula

C20H27NO2

Molecular Weight

313.43 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

Basic Physical Properties

Melting Point

222-226 ºC

Density

1.17±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C#N)O)C

InChI

InChI=1S/C20H27NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h11,15-17,23H,3-10H2,1-2H3/t15-,16+,17+,18+,19+,20+/m1/s1

InChIKey

JYCSLUASXDFIEL-HLXURNFRSA-N

LogP

3.77298

Synonyms & References

English

Androst-4-ene-17-carbonitrile,17-hydroxy-3-oxo-, (17a)-
(8R,9S,10R,13S,14S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
(17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile
17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile
EINECS 278-780-9
17a-Hydroxy-17b-cyanoandrost-4-en-3-one
17b-Cyano-17a-hydroxyandrost-4-en-3-one
Androstenedione cyanohydrin
17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile

MDL Number

MFCD18452761

FAQ

What regulatory guidelines apply to (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile (CAS: 77881-13-1)?

The compound (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile (CAS: 77881-13-1) is subject to regulatory guidelines such as GHS (Global Harmonized System of Classification and Labeling of Chemicals) for classification and labeling. It must comply with REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the European Union, and FDA/EPA regulations for safety and environmental protection in the United States. Detailed documentation and compliance with these regulations are essential for handling and distributing this chemical.

Are there alternatives to (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile (CAS: 77881-13-1) in synthesis?

In the synthesis of (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile (CAS: 77881-13-1), alternatives include using isomers or analogs such as 17β-hydroxyandrost-4-ene-17-carbonitrile. Other substitute reagents like 17α-hydroxy-3,20-dinor-androst-4-en-17-one can also be considered. These alternatives can offer different reaction pathways and properties, depending on the specific requirements of the synthetic route.

What is the market or research trend for (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile (CAS: 77881-13-1)?

The market for (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile (CAS: 77881-13-1) is driven by its applications in pharmaceutical research, particularly in the development of hormonal drugs. Research trends focus on exploring its potential in various therapeutic areas, such as hormone replacement therapy and anti-androgen treatments. The compound is also subject to ongoing studies for its structural and biological properties, which may lead to new applications in the future.

How should waste containing (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile (CAS: 77881-13-1) be handled?

Waste containing (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile (CAS: 77881-13-1) should be collected and disposed of in accordance with local and international regulations. Proper waste management includes segregation, containment, and neutralization to minimize environmental impact. Incineration is a common method for disposal, ensuring complete destruction of the compound. Professional waste disposal services are recommended to ensure compliance with safety and environmental protection standards.