(3beta,5alpha,9beta,16alpha,20S)-4,4,14-Trimethyl-3,20-bis(methylamino)-9,19-cyclopregnan-16-ol | CAS No. 860-79-7

(3beta,5alpha,9beta,16alpha,20S)-4,4,14-Trimethyl-3,20-bis(methylamino)-9,19-cyclopregnan-16-ol

Basic Information

CAS Number

860-79-7

Molecular Formula

C26H46N2O

Molecular Weight

402.67 g/mol

AD

Basic Physical Properties

Physical State

White cryst.

Melting Point

219-222 °C

Boiling Point

524.75°C (rough estimate)

Density

0.9815 (rough estimate)

Solubility

,Methanol

Refractive Index

1.5300 (estimate)

C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)NC)C)C)O)NC

InChI

InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1

InChIKey

GMNAPBAUIVITMI-ABNIRSKTSA-N

LogP

4.5922000000000045

Topological Polar Surface Area

44.29 Ų

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

692

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • 9,19-CYCLOPREGNANE-3,20-DIAMINE,N,N',4,4,14-PENTAMETHYL-, (3,5,20S)-
  • CYCLOVIROBUXINE
  • CYCLOVIROBUXINE D
  • 9,19-cyclo-5-alpha,9-beta-pregnan-16-alpha-ol,4,4,14-trimethyl-3-beta,20-alpha
  • bebuxine
  • -bis(methylamino)-
  • cvb-d
  • cyclovirobuxind
  • cyclovirobuxinum D
  • cyclobuxine D
  • 9,19-Cyclopregnan-16-ol,4,4,14-trimethyl-3, 20-
  • bis(methylamino)-,(3β,5α,16α,20S)-
  • (3b,5a,16a,20S)-4,4,14-Trimethyl-3,20-bis(methylamino)-9,19-cyclopregnan-16-ol
  • 9,19-Cyclopregnan-16-ol,4,4,14-trimethyl-3,20-bis(methylamino)-, (3b,5a,16a,20S)-
  • Cyclovirobuxine-D
  • (1S,3R,8R,11S,12S,14R,15S,16R)-7,7,12,16-Tetramethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]p
  • Cyclovirobuxin D
  • 51GY352868
  • C26H46N2O
  • Cyclovirobuxin D (Bebuxine)
  • Cyclovirobuxine D
  • Bebuxine,CVB-D,Cyclovirobuxin D,Cyclovirobuxine,Cyclovirobuxinum D

MDL Number

MFCD00468040

Customs Code

29420000

FAQ

What is (3beta,5alpha,9beta,16alpha,20S)-4,4,14-Trimethyl-3,20-bis(methylamino)-9,19-cyclopregnan-16-ol (CAS: 860-79-7)?

This compound, with the CAS number 860-79-7, is a synthetic steroidal alkaloid. It has the molecular formula C23H43NO3 and is characterized by its complex structure containing multiple methyl groups and amino functionalities. It is known for its biological activity and is often studied in the context of pharmaceutical research due to its potential therapeutic properties.

What are the main uses of (3beta,5alpha,9beta,16alpha,20S)-4,4,14-Trimethyl-3,20-bis(methylamino)-9,19-cyclopregnan-16-ol (CAS: 860-79-7)?

The compound is primarily used in pharmaceutical research for its potential applications in treating neurological and psychiatric disorders. It is also of interest in medicinal chemistry for its structural complexity and biological activity. Its unique properties make it a candidate for drug development and as a model compound in studies related to steroid derivatives.

Is (3beta,5alpha,9beta,16alpha,20S)-4,4,14-Trimethyl-3,20-bis(methylamino)-9,19-cyclopregnan-16-ol (CAS: 860-79-7) safe?

Safety data for this compound is limited, but it is generally considered safe when handled properly in controlled laboratory environments. Precautions include wearing appropriate personal protective equipment (PPE) and following standard chemical safety protocols. Further research is needed to fully understand its long-term effects and potential toxicity in biological systems.

How should (3beta,5alpha,9beta,16alpha,20S)-4,4,14-Trimethyl-3,20-bis(methylamino)-9,19-cyclopregnan-16-ol (CAS: 860-79-7) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C. It requires airtight containers to prevent moisture and contamination. Avoid exposure to light and maintain low humidity to ensure stability. Always store away from incompatible substances and keep in a well-ventilated area.

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