Dolutegravir Diastereomer is a stereochemically distinct analog of the HIV integrase inhibitor Dolutegravir, featuring an inverted configuration at the chiral center adjacent to the pyrimidinone scaffold. Its structure incorporates a fluorinated benzyl substituent, a sodium-bound carboxylate group, and a triazole-linked naphthyridine core. The diastereomeric relationship arises from spatial arrangement differences at the C-terminus, altering intermolecular interactions while retaining key pharmacophoric elements. This compound serves as an HPLC reference standard for quantifying stereoisomeric impurities in Dolutegravir drug substance synthesis.
On RequestC[C@@H]1CCO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]
InChI=1S/C20H19F2N3O5.Na/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15-;/m1./s1
UGWJRRXTMKRYNK-QSNSGOHLSA-M