Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)-

Basic Information

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CAS Number

2529-45-5

Molecular Formula

C23H31FO5

Molecular Weight

406.49 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

264-268°C

Specific Rotation

D +77.6° (in chloroform)

SMILES

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CC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)OC(=O)C

InChI

InChI=1S/C23H31FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1

InChIKey

JKQQZJHNUVDHKP-FQJIPJFPSA-N

LogP

3.472100000000002

Topological Polar Surface Area

80.67 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

820

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NSC 65411
Flugestone 17-acetate
SCHEMBL281972
CHEMBL2106773
Synchro-mate
CAS-2529-45-5
EINECS 219-776-9
Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11beta)-
Flurogestone acetate [USAN]
Fluorogestone acetate
NSC-65411
Gyncro-mate
SC-9880
DTXCID4026210
AM84839
D04235
A817767
AKOS015896293
CS-0092470
UNII-X60881643X
Tox21_111878
9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione 17-acetate
4-08-00-02904 (Beilstein Handbook Reference)
Fluorogesterone acetate
9alpha-Fluoro-11-hydroxy,17alpha-acetoxyprogesterone
[(8S,9R,10S,11S,13S,14S,17R)-17-ethanoyl-9-fluoranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
FLUROGESTONE ACETATE [MI]
MFCD00243094
Pregn-4-ene-3,20-dione, 9-fluoro-11-beta,17-dihydroxy-, 17-acetate
(11beta)17-(Acetyloxy)-9-fluoro-11-hydroxypregn-4-ene-3,20-dione
DTXSID6046210

MDL Number

MFCD00243094

FAQ

What regulatory guidelines apply to Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)- (CAS: 2529-45-5)?

Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)- (CAS: 2529-45-5) is subject to regulatory guidelines such as REACH for European Union chemical safety, GHS for global hazard communication, and FDA and EPA requirements for pharmaceutical and environmental safety. It is essential to comply with local and national regulations governing the manufacture, use, and disposal of this compound.

Are there alternatives to Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)- (CAS: 2529-45-5) in synthesis?

In the synthesis of Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)- (CAS: 2529-45-5), alternatives such as acetyl-DHEA and various fluoro-substituted steroids can be used. These alternatives offer similar structural features and can be employed as starting materials or intermediates in different synthetic routes.

What is the market or research trend for Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)- (CAS: 2529-45-5)?

The market for Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)- (CAS: 2529-45-5) is driven by research in steroid chemistry and its potential applications in pharmaceuticals. Recent trends indicate increasing interest in fluoro-substituted steroids for drug development, with a focus on enhancing bioavailability and therapeutic efficacy. Researchers are also exploring its use in anti-inflammatory and anti-cancer treatments.

How should waste containing Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)- (CAS: 2529-45-5) be handled?

Waste containing Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)- (CAS: 2529-45-5) should be collected and disposed of in accordance with local and national hazardous waste regulations. Proper incineration or professional waste disposal services should be utilized to ensure environmental safety. Precautions should be taken to prevent contamination of water and soil, and appropriate personal protective equipment (PPE) should be worn during handling and disposal.