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Itraconazole Impurity 5

SZ CAT No SZ-I011032
CAS No NA
Mol.F. C34H35Cl2N8O4 : Cl 
Mol.Wt. 690.6 : 35.4
Inv. Status Custom Synthesis


Chemical Name: 3-(4-(((2R,4R)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-(4-(1-(sec-butyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl)-4,5-dihydro-1H-imidazol-3-ium chloride

Smiles: O=C1N(C2=CC=C(N3CC[N+](C4=CC=C(OC[C@H]5O[C@@](CN6C=NC=N6)(C7=CC=C(Cl)C=C7Cl)OC5)C=C4)=C3)C=C2)C=NN1C(CC)C.[Cl-]

Inchi: InChI=1S/C34H36Cl2N8O4/c1-3-23(2)44-33(45)43(22-40-44)27-8-6-26(7-9-27)41-13-12-38-32-15-28(10-4-24(32)16-41)46-17-29-18-47-34(48-29,19-42-21-37-20-39-42)30-11-5-25(35)14-31(30)36/h4-11,14-15,20-23,29,38H,3,12-13,16-19H2,1-2H3/t23?,29-,34-/m1/s1