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Doultegravir O methyl impurity

Dolutegravir O-methyl impurity is a fluorinated pyrimidinone derivative featuring a methyl ether substitution at the 5-position of the pyridone ring. This compound retains the core bicyclic scaffold of Dolutegravir but incorporates an O-methylated lactam side chain, altering hydrogen bonding capacity. Structurally, it arises from methylation of the parent drug's hydroxyl group during synthetic processes. This impurity serves as an HPLC reference standard for quantifying process-related variants in Dolutegravir formulations.

On Request
Molecular Formula C21H21F2N3O5
Molecular Weight 433.4000
CAS Number 1335210-35-9 โœ“ Verified
PubChem CID 53469002 โ†—
Purity 95%
Product Type API Impurity
Parent Drug Dolutegravir
Lead Time 14 Days
IUPAC Name (4R,12aS)-N-(2,4-difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide

๐Ÿ“ Synonyms

1335210-35-9 (4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-methoxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide (4R,12AS)-N-((2,4-DIFLUOROPHENYL)METHYL)-3,4,6,8,12,12A-HEXAHYDRO-7-METHOXY-4-METHYL-6,8-DIOXO-2H-PYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZINE-9-CARBOXAMIDE RefChem:403306 838-070-7 (4R,12aS)-N-(2,4-difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxamide (4R,12AS)-N-(2,4-difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide MFCD29059073 (3S,7R)-N-[(2,4-Difluorophenyl)methyl]-11-methoxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide 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-methoxy-4-methyl-6,8-dioxo-, (4R,12aS)-

๐Ÿ”ฌ Chemical Identifiers

FC1=C(CNC(=O)C=2C(C(=C3N(C[C@@H]4OCC[C@H](N4C3=O)C)C2)OC)=O)C=CC(=C1)F
InChI=1S/C21H21F2N3O5/c1-11-5-6-31-16-10-25-9-14(18(27)19(30-2)17(25)21(29)26(11)16)20(28)24-8-12-3-4-13(22)7-15(12)23/h3-4,7,9,11,16H,5-6,8,10H2,1-2H3,(H,24,28)/t11-,16+/m1/s1
MOSMLVZNRGURDI-BZNIZROVSA-N
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