Posaconazole D-Glucuronide

Posaconazole D-glucuronide is a metabolite of the antifungal agent posaconazole (Cay-14737). It is formed via glucuronidation by the UDP-glucuronosyltransferase (UGT) isoform UGT1A4.Formal Name: (2S,3S,4S,5R,6R)-6-(1-(((2R,4R)-2-(2,4-difluorophenyl)-4-((4-(4-(4-(1-((2S,3S)-2-hydroxypentan-3-yl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl)piperazin-1-yl)phenoxy)methyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazol-4-ium-4-yl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate. Synonyms: Posaconazole N-beta-D-Glucuronide. Molecular Formula: C43H50F2N8O10. Formula Weight: 876.9. Purity: >80%. Formulation: (Request formulation change), A solid. Solubility: Methanol: slightly soluble. SMILES: O=C1N([C@H]([C@@H](O)C)CC)N=CN1C(C=C2)=CC=C2N3CCN(C4=CC=C(OC[C@@H]5CO[C@@](CN6C=[N+]([C@@]7([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](C([O-])=O)O7)C=N6)(C8=CC=C(F)C=C8F)C5)C=C4)CC3. InChi Code: InChI=1S/C43H50F2N8O10/c1-3-35(26(2)54)53-42(60)52(24-47-53)31-7-5-29(6-8-31)48-14-16-49(17-15-48)30-9-11-32(12-10-30)61-20-27-19-43(62-21-27,33-13-4-28(44)18-34(33)45)22-51-25-50(23-46-51)40-38(57)36(55)37(56)39(63-40)41(58)59/h4-13,18,23-27,35-40,54-57H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,36-,37-,38+,39-,40+,43-/m0/s1. InChi Key: OMNLHWYFOPMQCO-KYMKPJGSSA-N.