(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(propionyloxy)androsta-1,4-diene-17-carbothioic S-acid | CAS No. 80474-45-9

(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(propionyloxy)androsta-1,4-diene-17-carbothioic S-acid

Basic Information

CAS Number

80474-45-9

Molecular Formula

C24H30F2O5S

Molecular Weight

468.56 g/mol

AD

Basic Physical Properties

Melting Point

158-160?C

Density

1.31

CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)S

InChI

InChI=1S/C24H30F2O5S/c1-5-19(29)31-24(20(30)32)12(2)8-14-15-10-17(25)16-9-13(27)6-7-21(16,3)23(15,26)18(28)11-22(14,24)4/h6-7,9,12,14-15,17-18,28H,5,8,10-11H2,1-4H3,(H,30,32)/t12-,14+,15+,17+,18+,21+,22+,23+,24+/m1/s1

InChIKey

QGESYFOFLPJDJW-CQRCZTONSA-N

LogP

3.699600000000003

Topological Polar Surface Area

80.67000000000002 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

949

Synonyms & References

English

  • 6alpha,9alpha-Difluoro-11beta-hydroxy-16alpha-methyl-3-oxo-17alpha-(propionyloxy)-androsta-1,4-diene-17beta-carbothioic Acid
  • (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-androsta-1,4-diene-17-carbothioic acid
  • 6 alpha ,9 alpha -Difluoro-11 beta -hydroxy-16 alpha -methyl-3-oxo-17 alpha -(propionyloxy)-androsta-1,4-diene-17 beta -carbothioic Acid
  • SCHEMBL192154
  • ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-
  • (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid
  • YXC5X4NLK5
  • 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid
  • AKOS015967425
  • A-Difluoro-11
  • (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(propionyloxy)androsta-1,4-diene-17-carbothioic S-acid
  • 6alpha,9-Difluoro-11beta-hydroxy-16alpha-methyl-3-oxo-17-(propanoyloxy)androsta-1,4-diene-17beta-carbothioic Acid
  • 6?,9?-Difluoro-11?-hydroxy-16?-methyl-3-oxo-17?-(propionyloxy)-androsta-1,4-diene-17?-carbothioic Acid
  • Fluticasone Propionate Intermediate
  • A-(propionyloxy)-androsta-1,4-diene-17
  • A-methyl-3-oxo-17
  • 80474-45-9
  • E80375
  • (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID
  • A-hydroxy-16
  • (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic acid
  • (6alpha,11beta,,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxo-propoxy)androsta-1,4-diene-17-carbothioic acid
  • A,9
  • DTXSID401019402
  • AMY38237
  • UNII-YXC5X4NLK5
  • (6a,11b,16a,17a)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-androsta-1,4-diene-17-carbothioic acid
  • 6
  • Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, (6alpha,11beta,16alpha,17alpha)-
  • A-carbothioic Acid
  • (6alpha,11beta,,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxo-propoxy)androsta-1,4-diene-17-carbothioic acid

MDL Number

MFCD09029044

FAQ

What regulatory guidelines apply to (6alpha,11beta,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(propionyloxy)androsta-1,4-diene-17-carbothioic S-acid (CAS: 80474-45-9)?

The compound (6alpha,11beta,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(propionyloxy)androsta-1,4-diene-17-carbothioic S-acid (CAS: 80474-45-9) is subject to regulatory guidelines under REACH for classification and labeling of chemicals according to GHS. It may also require FDA/EPA registration and approval for specific uses, such as in pharmaceuticals or cosmetics.

Are there alternatives to (6alpha,11beta,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(propionyloxy)androsta-1,4-diene-17-carbothioic S-acid (CAS: 80474-45-9) in synthesis?

There are other fluoro-androstanes, such as DHT or other fluoro-substituted androstanes, that can serve as alternatives in synthesis. These analogs might offer similar functional groups and can be used as building blocks in the construction of similar chemical structures.

What is the market or research trend for (6alpha,11beta,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(propionyloxy)androsta-1,4-diene-17-carbothioic S-acid (CAS: 80474-45-9)?

The market for (6alpha,11beta,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(propionyloxy)androsta-1,4-diene-17-carbothioic S-acid (CAS: 80474-45-9) appears to be niche, with growing research interest in its potential applications in pharmaceuticals and drug discovery. Market trends suggest increasing demand for specialized chemical intermediates in these fields.

How should waste containing (6alpha,11beta,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(propionyloxy)androsta-1,4-diene-17-carbothioic S-acid (CAS: 80474-45-9) be handled?

Waste containing (6alpha,11beta,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(propionyloxy)androsta-1,4-diene-17-carbothioic S-acid (CAS: 80474-45-9) should be collected in appropriate containers, labeled with the proper hazard warnings, and disposed of via incineration or professional waste disposal services. Environmental precautions should be taken to prevent contamination of soil and water sources.

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