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Itraconazole-d5 (major)

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CATAPS1217510387
CAS1217510-38-7
SynonymsItraconazole-D5 (2-butyl-3,3,4,4,4-D5), 4-[4-[4-[4-[[trans-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1RS)-1-methylpropyl-2,2,3,3,3-d5]-2,4-dihydro-3H-1,2,4-triazol-3-one, rel-4-[4-[4-[4-[[(2R,4R)-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-2-(1-methylpropyl-2,2,3,3,3-d5)-3H-1,2,4-triazol-3-one,Itraconazole-d5
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-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one
Molecular Weight710.66
Molecular FormulaC352H5H33Cl2N8O4
Canonical SMILES[2H]C([2H])([2H])C([2H])([2H])C(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4
InChIInChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1/i1D3,3D2
Accurate Mass709.2707
FormatNeat
Product TypeStable Isotope Labelled
SubcategoryPharmaceutical, Oxysterol-binding protein inhibitors, Antimycotics, Chiral molecules, Stable isotope labelled compounds
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CATSizeShippingStorage Conditions
APS1217510387-10MG 10MG Cold Room (2-8 C) -20°C Inquiry
APS1217510387-1MG 1MG Room Temperature -20°C Freezer Inquiry
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