Posaconazole

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For Research Use Only | Not For Clinical Use
CATAPS171228492
CAS171228-49-2
Structure
MDL NumberMFCD00941162
SynonymsPosaconazole, Noxafil, Sch 56592,D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-
IUPAC Name4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
Molecular Weight700.78
Molecular FormulaC37H42F2N8O4
Canonical SMILESCC[C@@H]([C@H](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(C5)c7ccc(F)cc7F)cc4
InChIInChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1
InChI KeyRAGOYPUPXAKGKH-XAKZXMRKSA-N
Accurate Mass700.3297
FormatNeat
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CATSizeShippingStorage ConditionsDescription
APS171228492-1 10MG +20°C -18°C Subcategory: Pharmaceutical and veterinary compounds and metabolites Inquiry
APS171228492-2 250MG Ice pack (-20°C) -18°C Subcategory: API standards, Antimycotics; API Family: Matrix - API Family Posaconazole; Product Type: API Inquiry
APS171228492-3 10MG Room Temperature -20°C Subcategory: Stable isotope labelled compounds, Chiral molecules, Pharmaceutical, Polycyclic aromatic hydrocarbons (PAHs) Inquiry
APS171228492-4 1MG Room Temperature -20°C Freezer Subcategory: Chiral molecules, Stable isotope labelled compounds, Polycyclic aromatic hydrocarbons (PAHs) Inquiry
APS171228492-5 5MG Room Temperature -20°C Freezer Subcategory: Polycyclic aromatic hydrocarbons (PAHs), Stable isotope labelled compounds, Chiral molecules Inquiry
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