2-Desbutyl-2-isopentyl-5-methyl Itraconazole

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For Research Use Only | Not For Clinical Use
CATAPS1217692266
CAS1217692-26-6
Synonyms4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-5-methyl-2-(3-methylbutyl)-3H-1,2,4-triazol-3-one
IUPAC Name4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-isopentyl-5-methyl-1,2,4-triazol-3-one
Molecular Weight733.69
Molecular FormulaC37H42Cl2N8O4
Canonical SMILESCC(C)CCN1N=C(C)N(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4
InChIInChI=1S/C37H42Cl2N8O4/c1-26(2)14-15-46-36(48)47(27(3)42-46)31-7-5-29(6-8-31)43-16-18-44(19-17-43)30-9-11-32(12-10-30)49-21-33-22-50-37(51-33,23-45-25-40-24-41-45)34-13-4-28(38)20-35(34)39/h4-13,20,24-26,33H,14-19,21-23H2,1-3H3/t33-,37-/m0/s1
Accurate Mass732.2706
FormatNeat
SubcategoryOxysterol-binding protein inhibitors, Research Tools, Antimycotics
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