Products 142128-57-2

CAS 142128-57-2 appears in our catalog under these names: (-)-Ketoconazole, 1-(4-(4-(((2S,4R)-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethanone, Levoketoconazole, 99.71%. Offered by: TRC, TargetMol, Chemat, MedChemExpress. Available pack sizes: 250mg, 2mg, 100mg, 1mg, 5mg, 5 mg, 10mM/1mL, 10 mg.

Structural formula: {0} (CAS {1})

(2S,4R)-ketoconazole is a cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2S,4R)-configuration. It is an enantiomer of a (2R,4S)-ketoconazole.

Source: ChEBI

Identity
Molecular formulaC26H28Cl2N4O4
Molecular weight531.4 g/mol
IUPAC name1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChIKeyXMAYWYJOQHXEEK-ZEQKJWHPSA-N
SMILESCC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

Computed by PubChem (NCBI)