ChemicalBook--->CAS DataBase List--->854372-77-3

854372-77-3

854372-77-3 Structure

854372-77-3 Structure
IdentificationBack Directory
[Name]

(1,2,4-Triazol-4-yl) Itraconazole
[CAS]

854372-77-3
[Synonyms]

Itraconazole N4-Isomer
Itraconazole EP IMpurity E
(1,2,4-Triazol-4-yl) Itraconazole
Itraconazole Impurity 2(Itraconazole EP Impurity B)
rel-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-piperazinyl]phenyl]-2,4-dihydro-2-(1-Methylpropyl)-
4-[4-[4-[4-[[cis-2-(2,4-Dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1RS)-1-methylpropyl]-2,4-dihydro-3H-1,2,4-tri
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-[[cis-2-(2,4-Dichlorophenyl)-2-(4H-1,2,4-triazol-4-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,4S)-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-2-(1-methylpropyl)-, rel-
Itraconazole EP IMpurity B 4-[4-[4-[4-[[cis-2-(2,4-Dichlorophenyl)-2-(4H-1,2,4-triazol-4-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
[Molecular Formula]

C35H38Cl2N8O4
[MOL File]

854372-77-3.mol
[Molecular Weight]

705.63
Chemical PropertiesBack Directory
[Melting point ]

>216°C (dec.)
[Boiling point ]

850.0±75.0 °C(Predicted)
[density ]

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

-20°C Freezer
[solubility ]

Chloroform (Slightly)
[form ]

Solid
[pka]

6.47±0.40(Predicted)
[color ]

Off-White
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H312-H315-H302-H332-H319
[Precautionary statements ]

P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Uses]

(1,2,4-Triazol-4-yl) Itraconazole (Itraconazole EP Impurity B) is an isomer of Itraconazole. It is a COVID19-related research product.
[Uses]

An isomer of Itraconazole.
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