(Rac)-Ketoconazole

cas: 79156-75-5 — see every product listed under this CAS number, including other names

(Rac)-Ketoconazole (CAS 79156-75-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-W422288-Get quote
cas79156-75-5
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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)

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