Itraconazole EP Impurity F

cas: 89848-51-1 — see every product listed under this CAS number, including other names

Itraconazole EP Impurity F (CAS 89848-51-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberRM-I032606
cas89848-51-1
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Structural formula: {0} (CAS {1})

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 (CAS 89848-51-1) is a chemical compound with the molecular formula C35H38Cl2N8O4 and a molecular weight of 705.6 g/mol. IUPAC name: 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. InChIKey: MSRHZFCRISNCIN-CYEXUTLASA-N.

Identity
Molecular formulaC35H38Cl2N8O4
Molecular weight705.6 g/mol
IUPAC name2-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
InChIKeyMSRHZFCRISNCIN-CYEXUTLASA-N
SMILESCCCCN1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

Computed by PubChem (NCBI)

Synonyms: Butyl Itraconazole, Itraconazole impurity F, Itraconazole impurity F [EP], ITRACONAZOLE IMPURITY F [EP IMPURITY], ITRACONAZOLE IMPURITY F (EP IMPURITY), Itraconazole impurity, N-butyl isomer-(USP), Itraconazole impurity, N-butyl isomer-[USP], ITRACONAZOLE IMPURITY, N-BUTYL ISOMER-(USP IMPURITY), ITRACONAZOLE IMPURITY, N-BUTYL ISOMER-[USP IMPURITY], BUTYL ITRACONAZOLE, (+-)-
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-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 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

Also listed as

Itraconazole Impurity 6（Itraconazole EP Impurity F） Hubei YoungXin CAS 89848-51-1
Butyl Itraconazole TRC CAS 89848-51-1
2-Butyl-4-(4-(4-(4-((cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one Mikromol CAS 89848-51-1