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Itraconazole 2-Hydroxy Metabolite

SZ CAT No SZ-I011026
CAS No 199797-92-7
Mol.F. C35H38Cl2N8O5
Mol.Wt. 721.6
Inv. Status Custom Synthesis


Chemical Name: 4-(4-(4-(4-(((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-(3-hydroxybutan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Smiles: O=C1N(C2=CC=C(N3CCN(C4=CC=C(OC[C@@H]5O[C@@](CN6N=CN=C6)(C7=C(Cl)C=C(Cl)C=C7)OC5)C=C4)CC3)C=C2)C=NN1C(C)C(O)C

Inchi: InChI=1S/C22H27N5O2/c1-3-12-27-22(28)26(17-23-27)20-6-4-18(5-7-20)24-13-15-25(16-14-24)19-8-10-21(29-2)11-9-19/h4-11,17H,3,12-16H2,1-2H3