[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone | CAS No. 84449-90-1

[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone

Basic Information

CAS Number

84449-90-1

Molecular Formula

C28H27NO4S

Molecular Weight

473.59 g/mol

AD

Basic Physical Properties

Melting Point

250-253°C

Solubility

DMSO: 28 mg/mL, soluble

Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4

InChI

InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2

InChIKey

GZUITABIAKMVPG-UHFFFAOYSA-N

LogP

6.075200000000005

Topological Polar Surface Area

70.0 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

655

Synonyms & References

English

  • Raloxifene
  • [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
  • raloxifene HCL
  • [14C]-Raloxifene
  • [2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl] [4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
  • [3H]-Raloxifene
  • 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidino-ethoxy)benzoyl]benzo[b]thiophene
  • Keoxifene
  • Raloxifene [INN:BAN]
  • Raloxifeno
  • Raloxifeno [Spanish]
  • Raloxifenum
  • Raloxifenum [Latin]
  • UNII-YX9162EO3I
  • [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone

MDL Number

MFCD00866415

Customs Code

29349990

FAQ

What regulatory guidelines apply to [6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone (CAS: 84449-90-1)?

This compound is subject to the Classification, Labeling, and Packaging (CLP) Directive by the European Union, and the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) guidelines. For manufacturing and import/export, it must comply with REACH regulations. Additionally, the FDA and EPA may have specific requirements for its handling and disposal due to its chemical properties.

Are there alternatives to [6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone in synthesis?

There are several alternatives and analogs that can be used in synthesis depending on the desired properties. For instance, 2-(4-hydroxyphenyl)benzothiophene and 1-(4-hydroxyphenyl)-3-(piperidin-1-yl)propan-2-ol are common alternatives. These can serve as starting materials or intermediate reagents in place of the target compound.

What is the market or research trend for [6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone?

Research into this compound is focused on its potential applications in pharmaceuticals and materials science. Market trends suggest growing interest in its use as a precursor or active ingredient in drug development. Emerging research is exploring its biological activity and potential therapeutic uses.

How should waste containing [6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone (CAS: 84449-90-1) be handled?

Waste containing this compound should be collected in appropriate containers and labeled. It should be disposed of through incineration or professional chemical waste disposal services to minimize environmental impact. Proper safety precautions, such as wearing protective gear and ensuring proper ventilation, should be observed during handling and disposal to prevent exposure and environmental contamination.

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