21-Hydroxypregn-4-ene-3,20-dione

Basic Information

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CAS Number

64-85-7

Molecular Formula

C21H30O3

Molecular Weight

330.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

138-144 ºC

Boiling Point

407.89°C (rough estimate)

Density

1.0998 (rough estimate)

Refractive Index

1.5192 (estimate)

Specific Rotation

184 º (c=1, C2H5OH)

SMILES

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CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C

InChI

InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1

InChIKey

ZESRJSPZRDMNHY-YFWFAHHUSA-N

LogP

3.6959000000000026

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

606

Safety Information

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Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Synonyms & References

English

DTXSID0045254
LMST02030087
Tox21_302402
AB00490029
21-Hydroxyprogesterone, >=97% (HPLC)
Desoxycortonum [INN-Latin]
D07792
[4-14C]-11-deoxycorticosterone
21-Hydroxy-Delta4-pregnene-3,20-dione
HMS2235G07
BDBM8582
1,2(3H)-Deoxycorticosterone
21-Hydroxy-3,20-dioxopregn-4-ene
Prestwick2_000957
Tox21_110356_1
4-PREGNEN-21-OL-3,20-DIONE; DOC; 21-HYDROXYPROGESTERONE
Desoxycortone (INN)
11-deoxy-Corticosterone
EINECS 200-596-4
GTPL2871
HMS1570P16
11-Deoxycorticosterone
hydroxy-4-pregnene-3,20-dione
Desossicortone
Corticosterone, 11-deoxy-
Prestwick1_000957
D4-Pregnene-21-ol-3,20-dione
BSPBio_000954
NCGC00021304-03
11-Desoxycorticosterone
'Reichstein Q'

MDL Number

MFCD00003661

Customs Code

2942000000

FAQ

What regulatory guidelines apply to 21-Hydroxypregn-4-ene-3,20-dione (CAS: 64-85-7)?

21-Hydroxypregn-4-ene-3,20-dione (CAS: 64-85-7) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA guidelines in the USA. Specific safety data sheets (SDS) must be provided for handling and storage. Compliance with local and international regulations is essential to ensure safe and legal transport and usage.

Are there alternatives to 21-Hydroxypregn-4-ene-3,20-dione (CAS: 64-85-7) in synthesis?

Alternatives to 21-Hydroxypregn-4-ene-3,20-dione (CAS: 64-85-7) in synthesis include related steroids and analogs such as progesterone and its derivatives. Isomers and synthetic intermediates like 17α-hydroxy-17,20-dione can also serve as effective alternatives depending on the specific reaction conditions and desired product.

What is the market or research trend for 21-Hydroxypregn-4-ene-3,20-dione (CAS: 64-85-7)?

Market trends for 21-Hydroxypregn-4-ene-3,20-dione (CAS: 64-85-7) are influenced by increasing research in endocrine-disrupting chemicals and their role in health. There is a growing interest in its use as a research tool in endocrinology and pharmacology. Additionally, its potential applications in hormone replacement therapy and reproductive health are areas of active research, driving demand.

How should waste containing 21-Hydroxypregn-4-ene-3,20-dione (CAS: 64-85-7) be handled?

Waste containing 21-Hydroxypregn-4-ene-3,20-dione (CAS: 64-85-7) should be collected in appropriate containers and stored separately to prevent contamination. Proper disposal should follow local regulations, often requiring professional waste disposal services. Environmental protection measures include neutralization to reduce toxicity before disposal to ensure minimal impact on the environment.