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ChemicalBook--->CAS DataBase List--->252964-65-1

252964-65-1

252964-65-1 Structure

252964-65-1 Structure
IdentificationBack Directory
[Name]

trans-Itraconazole
[CAS]

252964-65-1
[Synonyms]

trans-Itraconazole
Itraconazole iMpurity E
Itraconazole EP Impurity E (trans-Itraconazole)
Itraconazole Impurity 5(Itraconazole EP Impurity E)
4-(4-(4-(4-(((2S,4S)-2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-(sec-butyl)-1H-1,2,4-triazol-5(4H)-one
4-[4-[4-[4-[[trans-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1RS)-1-methylpropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-, rel-
[Molecular Formula]

C35H38Cl2N8O4
[MDL Number]

MFCD18382444
[MOL File]

252964-65-1.mol
[Molecular Weight]

705.63
Chemical PropertiesBack Directory
[Melting point ]

126 - 128°C
[Boiling point ]

850.0±75.0 °C(Predicted)
[density ]

1.40±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly)
[form ]

Solid
[pka]

6.47±0.40(Predicted)
[color ]

White to Off-White
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Solid
[Uses]

A geometrical isomer of Itraconazole (I937500).
[Uses]

trans-Itraconazole (Itraconazole EP Impurity E) is a geometrical isomer of Itraconazole (I937500). It is a COVID19-related research product.
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