1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one



Compound number:
MolPort-003-848-307
CAS number: 142128-59-4; 65277-42-1; 65277-42-1
IUPAC:
1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one
IUPAC traditional:
(2R,4S)-ketoconazole
SMILES:
CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
InChI key:
XMAYWYJOQHXEEK-OZXSUGGESA-N
Molecular formula:
C26H28Cl2N4O4
Molecular weight: 531.43
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-003-848-307
CAS number: 142128-59-4; 65277-42-1; 65277-42-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000000643138
MFCD00058579
1-(4-{4-[2-(2,4-Dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]-phenyl}-piperazin-1-yl)-ethanone
1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-ethanone
Adsorbed-CALB
"(\)-cis-?1-?Acetyl-?4-?(4-?[(2-?[2,4-?dichlorophenyl]?-?2-?[1H-?imidazol-?1-?ylmethyl]?-?1,3-?dioxolan-?4-?yl)?-?methoxy]?phenyl)?piperazine"
cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
(+/-)-cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
Ketocanazole
(+)-Ketoconazole
ketoconazole
(+)-Ketoconazol(+)-R 41400
Nizoral, Extina, Xolegel, Kuric

InChI
InChI: 1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
InChI key: XMAYWYJOQHXEEK-OZXSUGGESA-N

Calculated Properties
Molecular formula: C26H28Cl2N4O4
Molecular weight: 531.43

Other

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