2-Oxo-posaconazole-d4
Product Specifications
Hazard Statement
No Data Available
Smiles
[2H]c1c([2H])c(N2CCN(CC2=O)c3ccc(cc3)N4C=NN([C@@H](CC)[C@H](C)O)C4=O)c([2H])c([2H])c1OC[C@@H]5CO[C@](Cn6cncn6)(C5)c7ccc(F)cc7F
Molecular Formula
C37 D4 H36 F2 N8 O5
Molecular Weight
718.786
InChI
InChI=1S/C37H40F2N8O5/c1-3-34(25(2)48)47-36(50)46(24-42-47)30-7-5-28(6-8-30)43-14-15-45(35(49)18-43)29-9-11-31(12-10-29)51-19-26-17-37(52-20-26,21-44-23-40-22-41-44)32-13-4-27(38)16-33(32)39/h4-13,16,22-26,34,48H,3,14-15,17-21H2,1-2H3/t25-,26+,34-,37-/m0/s1/i9D,10D,11D,12D
Additionnal Information
IUPAC name: 4-[4-[1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,2,4-triazol-4-yl]phenyl]-1-[2,3,5,6-tetradeuterio-4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-2-one
Shipping Conditions
Room Temperature
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