2-sec-Butyl-4-{4-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | CAS No. 854372-77-3

2-sec-Butyl-4-{4-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

Basic Information

CAS Number

854372-77-3

Molecular Formula

C35H38Cl2N8O4

Molecular Weight

705.65 g/mol

AD

Basic Physical Properties

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NN=C6)C7=C(C=C(C=C7)Cl)Cl

InChI

InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)42-14-16-43(17-15-42)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-41-22-38-39-23-41)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m1/s1

InChIKey

VRJGLVXBWFZNCZ-AVQIMAJZSA-N

LogP

5.5773000000000055

Topological Polar Surface Area

104.70000000000002 Ų

Hydrogen Bond Donor/Acceptor

0 / 12

Complexity

1110

Synonyms & References

English

  • FT-0675402
  • Itraconazole Impurity B
  • 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
  • 854372-77-3
  • (1,2,4-Triazol-4-yl) Itraconazole
  • (1,2,4-Triazol-4-yl)
  • 2-sec-Butyl-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(4H-1,2 ,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-pipera zinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
  • 4-(4-(4-(4-(((rel-2R,4S)-2-((4H-1,2,4-triazol-4-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-(sec-butyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

MDL Number

MFCD18382444

FAQ

What is 2-sec-Butyl-4-{4-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 854372-77-3)?

2-sec-Butyl-4-{4-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one is a complex organic compound with a unique structure. It contains elements such as carbon, hydrogen, chlorine, and nitrogen. Its properties include high stability and potential for use in pharmaceutical applications.

What are the main uses of 2-sec-Butyl-4-{4-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 854372-77-3)?

This compound is primarily used in the pharmaceutical industry for developing new drugs and as an intermediate in the synthesis of other compounds. It may also have applications in chemical research and possibly in the food industry as a preservative or flavor enhancer.

Is 2-sec-Butyl-4-{4-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 854372-77-3) safe?

The safety of this compound depends on its intended use and the conditions of exposure. It is generally considered safe when used as directed in a controlled environment. However, it is important to follow all safety guidelines, such as wearing protective clothing and handling it under fume hood conditions to minimize exposure.

How should 2-sec-Butyl-4-{4-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 854372-77-3) be stored?

This compound should be stored in a cool, dry, and well-ventilated area, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and contamination. Properly labeled and stored in a secure location to ensure safety and prevent accidental exposure.

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