Products 254912-65-7

CAS 254912-65-7 appears in our catalog under these names: Ketoconazole Impurity 9, Ketoconazole N-Oxide. Offered by: Chemat Brand, TRC, Mikromol, Biosynth. Available pack sizes: on request, 50mg, 100mg.

Ketoconazole Impurity 9
Chemat Brand
  • size: on request
  • Variants: 1
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Ketoconazole N-Oxide
Chemat Brand, TRC, Mikromol
  • size: on request, 50mg, 100mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-oxidopiperazin-4-ium-1-yl]ethanone (CAS 254912-65-7) is a chemical compound with the molecular formula C26H28Cl2N4O5 and a molecular weight of 547.4 g/mol. IUPAC name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-oxidopiperazin-4-ium-1-yl]ethanone. InChIKey: TVMVVRYAPWZNJP-OZXSUGGESA-N.

Identity
Molecular formulaC26H28Cl2N4O5
Molecular weight547.4 g/mol
IUPAC name1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-oxidopiperazin-4-ium-1-yl]ethanone
InChIKeyTVMVVRYAPWZNJP-OZXSUGGESA-N
SMILESCC(=O)N1CC[N+](CC1)(C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl)[O-]

Computed by PubChem (NCBI)

Synonyms: Ketoconazole N-Oxide, (+)-Ketoconazole N-Oxide, Ketoconazole N-?Oxide, Ketoconazole N-Oxide, (+)-, Ketoconazole N-Oxide (and enantiomer)