1-[4-(4-{[(2S,4R)-2-(2,4-Dichlorophenyl)-2-(1H-Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methoxy}Phenyl)-1-Piperazinyl]Ethanone

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Properties Simple | Detailed

Formula C26H28Cl2N4O4
IUPAC Name 1-[4-[4-[[(2s,4r)-2-(2,4-dichlorobenzene-3,5-diid-1-yl)-2-(2,4-dihydroimidazol-1-ium-2,4-diylium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Molecular Mass 531.431 g·mol−1
Heat of Formation 1318.5 ± 16.7 kJ·mol−1
Dipole Moment 12.39 ± 1.08 D
Volume 583.67 Å 3
Surface Area 441.22 Å 2
HOMO Energy -5.82 ± 0.55 eV
LUMO Energy -4.45 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
  • (-)-ketoconazole
  • 1-[4-[4-[[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone
  • 1-[4-[4-[[(2s,4r)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
  • cort-001
  • d00351
  • drg-0073
  • extina
  • fungarest
  • fungoral
  • ketoconazol
  • ketoconazole (jan/usp)
  • ketoderm
  • ketoisdin
  • kw-1414
  • nizoral
  • orifungal m
  • panfungol
  • piperazine, (-)-1-acetyl-4-[4-[[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-
  • piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-
  • r 41400
  • r-41400
  • sebazole
  • xolegel
CAS Number(s)
  • 65277-42-1
InChIKey XMAYWYJOQHXEEK-ZEQKJWHPSA-N
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