Dolutegravir O-beta-D-Glucuronide

Dolutegravir O-beta-D-glucuronide is a metabolite of the HIV integrase inhibitor dolutegravir (Cay-22191). It is formed from dolutegravir primarily by the UDP-glucuronosyltransferase (UGT) isoform UGT1A1 in vivo but is also metabolized by UGT1A9 in human liver and kidney microsomes and UGT1A3 in human intestinal microsomes.Formal Name: (4R,12aS)-9-[[[(2,4-difluorophenyl)methyl]amino]carbonyl]-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazin-7-yl beta-D-glucopyranosiduronic acid. CAS Number: 1485692-21-4. Synonyms: Dolutegravir Glucuronide, DTG Glucuronide. Molecular Formula: C26H27F2N3O11. Formula Weight: 595.5. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: Water: slightly, sonicated. SMILES: FC(C=C(C=C1)F)=C1CNC(C(C2=O)=CN(C[C@@]3([H])N([C@@H](CCO3)C)C4=O)C4=C2O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)=O. InChi Code: InChI=1S/C26H27F2N3O11/c1-10-4-5-40-15-9-30-8-13(23(36)29-7-11-2-3-12(27)6-14(11)28)17(32)21(16(30)24(37)31(10)15)41-26-20(35)18(33)19(34)22(42-26)25(38)39/h2-3,6,8,10,15,18-20,22,26,33-35H,4-5,7,9H2,1H3,(H,29,36)(H,38,39)/t10-,15+,18+,19+,20-,22+,26-/m1/s1. InChi Key: RSWVIGYRNQZNSD-DGPWBEAXSA-N.