ABC00544ZX

Doultegravir Diasteriomer

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 Request
Molecular Formula C20H18F2N3NaO5
Molecular Weight 441.4000
CAS Number 1809261-48-0 โœ“ Verified
Purity N/A
Product Type API Impurity
Parent Drug Dolutegravir
Lead Time On Request
IUPAC Name sodium (3R,7R)-13-[(2,4-difluorophenyl)methylcarbamoyl]-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-olate

๐Ÿ“ Synonyms

Dolutegravir Impurity 40 Sodium 4-epi-Dolutegravir XR59P3PWR6 (4R,12aR)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide sodium salt 1809261-48-0 2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, sodium salt (1:1), (4R,12aR)- N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide sodium salt, (4R,12aR)-

๐Ÿ”ฌ Chemical Identifiers

C[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

Related Products