(7alpha,8xi,17beta)-3-Oxo-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estr-4-en-17-yl acetate | CAS No. 415927-29-6

(7alpha,8xi,17beta)-3-Oxo-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estr-4-en-17-yl acetate

Basic Information

CAS Number

415927-29-6

Molecular Formula

C34H51F5O3S

Molecular Weight

634.82 g/mol

AD

Basic Physical Properties

Boiling Point

626 ºC

Flash Point

332 ºC

O=C1CC[C@H]2C(=C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)C)C)CCCCCCCCCSCCCC(C(F)(F)F)(F)F

InChI

InChI=1S/C34H51F5O3S/c1-23(40)42-30-15-14-29-31-24(21-25-22-26(41)12-13-27(25)28(31)16-18-32(29,30)2)11-8-6-4-3-5-7-9-19-43-20-10-17-33(35,36)34(37,38)39/h22,24,27-31H,3-21H2,1-2H3/t24-,27+,28-,29+,30+,31-,32+/m1/s1

InChIKey

VAFUQFCTCUWBQD-YPTRIRRJSA-N

LogP

10.117799999999994

Topological Polar Surface Area

43.370000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

982

Synonyms & References

English

  • (7alpha,17beta)-17-(Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one
  • Acetyloxy)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estr-4-en-3-one
  • [13-Methyl-3-oxo-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-2,6,7,8,9,10,11,12,14,15,16,17-dod
  • S-Deoxo-3-Keto-17-Acetoxy Fulvestrant

MDL Number

MFCD31560067

FAQ

What regulatory guidelines apply to (7alpha,8xi,17beta)-3-Oxo-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estr-4-en-17-yl acetate (CAS: 415927-29-6)?

This compound falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and REACH regulations in the European Union. In the USA, it would be subject to FDA and EPA regulations regarding chemical safety and environmental release. Specific safety data sheets (SDS) should include hazard identification, exposure controls, and emergency response procedures.

Are there alternatives to (7alpha,8xi,17beta)-3-Oxo-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estr-4-en-17-yl acetate (CAS: 415927-29-6) in synthesis?

Several alternatives can be considered, including isomers or structurally similar compounds like 17α-ethinylestradiol acetate, which are commonly used in hormone therapy. Alternative reagents such as different acetic anhydrides or other esterifying agents can also be explored.

What is the market or research trend for (7alpha,8xi,17beta)-3-Oxo-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estr-4-en-17-yl acetate (CAS: 415927-29-6)?

Research trends are focused on the development of novel hormone-based therapeutics and the synthesis of structurally diverse compounds. Market interest lies in their potential applications in reproductive medicine, hormone replacement therapy, and as intermediates in pharmaceuticals. Emerging studies are exploring the use of such compounds for their unique biological properties.

How should waste containing (7alpha,8xi,17beta)-3-Oxo-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estr-4-en-17-yl acetate (CAS: 415927-29-6) be handled?

Waste containing this compound should be collected in appropriate, leak-proof containers and stored in a secure area. It should be disposed of through a professional waste disposal service that handles hazardous chemicals. Environmental protection measures include minimizing exposure during handling and ensuring proper disposal to avoid contamination. Compliance with local and national regulations is essential.

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