(17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol | CAS No. 129453-61-8

(17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol

Basic Information

CAS Number

129453-61-8

Molecular Formula

C32H47F5O3S

Molecular Weight

606.78 g/mol

AD

Basic Physical Properties

Melting Point

104-110°C

Solubility

DMSO: >5mg/mL

C[C@@]12CC[C@H]3[C@H]([C@@H]2CC[C@@H]1O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34

InChI

InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22?,26-,27+,28+,29-,30+,41?/m1/s1

InChIKey

VWUXBMIQPBEWFH-IOMDSJNNSA-N

LogP

8.682600000000004

Topological Polar Surface Area

57.53 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

854

Safety Information

View Safety Information

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

  • Fulvestrant
  • (7a,17b)-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol
  • Fulvestrant (ICI 182780,ZD 9238, Faslodex®)
  • Fulvestrant Solution
  • ICI 182,780
  • (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • Bendamustine hydrochloride
  • EP3101
  • Faslodex
  • SDX105
  • ZD 182780
  • ZD9238
  • ZM182780
  • Fulvtrant
  • ICH-182780
  • Fulvstrant
  • ICI-187280
  • Fulvestran
  • ZD 9238
  • zd182780
  • (7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

MDL Number

MFCD00903953

Customs Code

2930909090

FAQ

What is (17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol (CAS: 129453-61-8)?

This compound is a synthetic steroid derivative with the CAS number 129453-61-8. It features a estratriene-3,17-diol backbone modified with a pentafluoropentyl sulfinyl group at the 9th position of the nonyl chain. Its chemical structure includes multiple fluorine atoms and a sulfinyl functional group, making it a complex molecule with potential applications in pharmaceutical research.

What are the main uses of (17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol (CAS: 129453-61-8)?

This compound is primarily used in pharmaceutical research for its potential biological activity. It serves as a synthetic intermediate in drug development, particularly in the design of hormone-related therapies. Applications also include chemical synthesis and studies involving fluorinated steroids, though specific industrial or commercial uses are not widely documented.

Is (17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol (CAS: 129453-61-8) safe?

Safety information for this compound is limited. Due to its fluorinated and sulfinyl groups, it may require careful handling to avoid potential toxicity. Protective measures such as gloves and ventilation should be used when working with it. Always follow safety data sheet guidelines and regulatory standards for handling fluorinated steroid compounds.

How should (17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol (CAS: 129453-61-8) be stored?

This compound should be stored in a cool, dry place away from light. Keep it in sealed, airtight containers to prevent exposure to moisture and air. Due to its chemical structure, stability may be affected by humidity and temperature fluctuations. Store in a well-ventilated area and follow recommended storage conditions for fluorinated organic compounds.

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