De-1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole Itraconazole Sulfate

Analyte Name

De-1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole Itraconazole sulfate

CAS Number

765882-88-0

Molecular Formula

C23 H29 N5 O6 S

Molecular Weight

503.57

Accurate Mass

503.1839

SMILES

COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N4C=NN([C@@H](C)[C@H](C)OS(=O)(=O)O)C4=O

InChI

InChI=1S/C23H29N5O6S/c1-17(18(2)34-35(30,31)32)28-23(29)27(16-24-28)21-6-4-19(5-7-21)25-12-14-26(15-13-25)20-8-10-22(33-3)11-9-20/h4-11,16-18H,12-15H2,1-3H3,(H,30,31,32)/t17-,18-/m0/s1

IUPAC

[(1S,2S)-2-[4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]-1-methyl-propyl] hydrogen sulfate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat