ITRACONAZOLE 4-TRIAZOLYL ISOMER

cas: 854372-77-3 — see every product listed under this CAS number, including other names

ITRACONAZOLE 4-TRIAZOLYL ISOMER (CAS 854372-77-3) is a chemical reagent available from Chemat. Available pack sizes: 25MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number1A11680-25MG
cas854372-77-3
size25MG
availability availability
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

brand size price
Sigma-Aldrich 25MG 11031.00 Pln

properties

purityNo data
delivery time1-2 weeks (only if in stock, to check click on availability)
Structural formula: {0} (CAS {1})

2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-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 (CAS 854372-77-3) is a chemical compound with the molecular formula C35H38Cl2N8O4 and a molecular weight of 705.6 g/mol. IUPAC name: 2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-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. InChIKey: VRJGLVXBWFZNCZ-AVQIMAJZSA-N.

Identity
Molecular formulaC35H38Cl2N8O4
Molecular weight705.6 g/mol
IUPAC name2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-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
InChIKeyVRJGLVXBWFZNCZ-AVQIMAJZSA-N
SMILESCCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NN=C6)C7=C(C=C(C=C7)Cl)Cl

Computed by PubChem (NCBI)

Synonyms: (1,2,4-Triazol-4-yl) Itraconazole, Itraconazole specified impurity B [EP], ITRACONAZOLE IMPURITY B [EP IMPURITY], ITRACONAZOLE IMPURITY B (EP IMPURITY), Itraconazole impurity, 4-triazolyl isomer-(USP), Itraconazole impurity, 4-triazolyl isomer-[USP], Itraconazole specified impurity B, Itraconazole EP Impurity B, (+/-)-(1,2,4-Triazol-4-yl) itraconazole, Itraconazole impurity, 4-triazolyl isomer- [USP]
Isomers (same molecular formula)
2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4
4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one C35H38Cl2N8O4
2-butyl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4
2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4
4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(1,1,1-trideuteriobutan-2-yl)-1,2,4-triazol-3-one C35H38Cl2N8O4
2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4
2-butan-2-yl-4-[4-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4
2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4
4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(1,1,1,2,3,3,4,4,4-nonadeuteriobutan-2-yl)-1,2,4-triazol-3-one C35H38Cl2N8O4

Also listed as

Itraconazole EP Impurity B Chemat Brand CAS 854372-77-3
Itraconazole Impurity 2（Itraconazole EP Impurity B） Hubei YoungXin CAS 854372-77-3
(1,2,4-Triazol-4-yl) itraconazole Biosynth CAS 854372-77-3
Itraconazole impurity 7 MedChemExpress CAS 854372-77-3