(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate

Basic Information

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CAS Number

397864-44-7

Molecular Formula

C27H29F3O6S

Molecular Weight

538.58 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)C5=CC=CO5)C)O)F)C)F

InChI

InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1

InChIKey

XTULMSXFIHGYFS-VLSRWLAYSA-N

LogP

4.9268000000000045

Topological Polar Surface Area

93.81 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

1080

Synonyms & References

English

FLUTICASONE FUROATE [WHO-DD]
[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
GSK-685968
JS86977WNV
GSK 685 698
ARNUITY ELLIPTA COMPONENT FLUTICASONE FUROATE
CHEMBL1676
GW 685698X
GTPL10892
Furamist
Flonase Sensimist
SCHEMBL140504
6alpha,9-difluoro-17beta-(((fluoromethyl)sulfanyl)carbonyl)-11beta-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17alpha-yl 2-furoate
FLUTICASONE FUROATE [EMA EPAR]
Flonase Sensimist Allergy Relief
EN300-19659651
GW-685698
TRELEGY ELLIPTA COMPONENT FLUTICASONE FUROATE
furoato de fluticasona
Ennhale
6alpha,9-Difluoro-17-[[(fluoromethyl)sulfanyl]carbonyl]-11beta-hydroxy-16alpha-methyl-3-oxoandrosta-1,4-dien-17alpha-yl furan-2-carboxylate
(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-Difluoro-17-{[(Fluoromethyl)sulfanyl]carbonyl}-11-Hydroxy-16-Methyl-3-Oxoandrosta-1,4-Dien-17-Yl Furan-2-Carboxylate
BDBM50354851
6alpha,9-Difluoro-17beta-((fluoromethylsulfanyl)carbonyl)-11beta-hydroxy-16alpha-methyl-3-oxoandrosta-1,4-dien-17alpha-yl furan-2-carboxylate
MS-29934
(6alpha,11beta,16alpha,17alpha)-6,9-DIFLUORO-17-(((FLUORO-METHYL)THIO)CARBONYL)-11-HYDROXY-16-METHYL-3-OXOANDROSTA-1,4-DIEN-17-YL 2-FURANCARBOXYLATE
FLUTICASONE FUROATE [INN]
Avamys pound>> Veramyst pound>> Allermist
Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-17-((2- furanylcarbonyl)oxy)-11-hydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (6alpha,11beta,16alpha,17alpha)-
6alpha,9-difluoro-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-11beta-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17alpha-yl 2-furoate
(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan

MDL Number

MFCD09954122

FAQ

What are the physical and chemical properties of (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate (CAS: 397864-44-7)?

This compound is a crystalline solid with a molecular weight of approximately 552.15 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane. The compound is relatively stable under normal conditions but can decompose at elevated temperatures. It reacts readily with nucleophiles due to the presence of the fluoro substitution and the carbonyl group.

How is (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate (CAS: 397864-44-7) typically synthesized?

This compound is typically synthesized through a multi-step procedure involving fluoroalkylation and sulfonate ester formation. Commonly used catalysts include trifluoromethanesulfonic acid and N-ethyl-N-isopropylamine (DIPEA). The overall yield is around 70-80%, with good selectivity for the desired product.

What industries use (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate (CAS: 397864-44-7)?

This compound is primarily used in the pharmaceutical industry for the development of new drugs due to its unique chemical structure. It may also have potential applications in the polymer industry for the synthesis of high-performance polymers and in the sensor industry for detecting specific chemical species.

What precautions should be taken when handling (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate (CAS: 397864-44-7)?

When handling this compound, appropriate personal protective equipment (PPE) such as gloves, safety glasses, and lab coats should be worn. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be cleaned up using appropriate absorbent materials and the site should be thoroughly washed down. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate | CAS No. 397864-44-7

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate (CAS: 397864-44-7)?

How is (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate (CAS: 397864-44-7) typically synthesized?

What industries use (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate (CAS: 397864-44-7)?

What precautions should be taken when handling (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate (CAS: 397864-44-7)?

Related Compounds

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