1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol | CAS No. 198481-32-2

1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol

Basic Information

CAS Number

198481-32-2

Molecular Formula

C30H34N2O3

Molecular Weight

470.61 g/mol

AD

Basic Physical Properties

Melting Point

98-102°

Cc1c(c2ccc(O)cc2)n(Cc3ccc(OCCN4CCCCCC4)cc3)c5ccc(O)cc15

InChI

InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3

InChIKey

UCJGJABZCDBEDK-UHFFFAOYSA-N

LogP

6.331020000000006

Topological Polar Surface Area

57.86 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Synonyms & References

English

  • 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol
  • 1-[4-(2-azepan-1-yl-ethoxy)-benzyl]-2-(4-hydroxy-phenyl)-3-methyl-1H-indol-5-ol
  • BAZEDOXIFEN
  • Bazedoxifene
  • [14C]-Bazedoxifene
  • 1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
  • 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
  • AC1L4BYF
  • Bazedoxifene [INN]
  • Bazedoxifeno
  • SureCN41935
  • TSE-424
  • UNII-Q16TT9C5BK
  • 1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
  • Bazedoxifeno [inn-spanish]
  • 1-((4-(2-Hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
  • 1H-Indol-5-ol, 1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-

MDL Number

MFCD05148441

FAQ

What regulatory guidelines apply to 1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol (CAS: 198481-32-2)?

The compound 1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol (CAS: 198481-32-2) falls under various regulatory guidelines including REACH regulations for European Union member states, which require registration, evaluation, and authorization of chemical substances. Additionally, it is subject to GHS classification for hazardous properties, and FDA/EPA requirements for safety in chemical products.

Are there alternatives to 1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol (CAS: 198481-32-2) in synthesis?

In the synthesis of 1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol (CAS: 198481-32-2), alternative reagents such as substituted anilines or azepanols can be used as precursors. Isomers or analogs like 1-{4-[2-(1-pyrrolidinyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol might also serve as viable alternatives depending on the desired properties.

What is the market or research trend for 1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol (CAS: 198481-32-2)?

The market for 1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol (CAS: 198481-32-2) is currently focused on its potential applications in pharmaceuticals and research. Recent research trends indicate increasing interest in its use as a potent selective serotonin reuptake inhibitor (SSRI) and as a tool compound in drug discovery. Given its chemical structure, it is likely to see continued investigation in medicinal chemistry and therapeutic development.

How should waste containing 1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol (CAS: 198481-32-2) be handled?

For waste containing 1-{4-[2-(1-Azepanyl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol (CAS: 198481-32-2), it should be collected in appropriate containers and disposed of according to local waste disposal regulations. Incineration is a common method, but professional waste disposal services are recommended to ensure compliance with environmental protection standards. Always handle such waste with appropriate personal protective equipment and follow safety guidelines.

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