Dolutegravir 4-fluoro impurity

Impurity

This molecule is a impurity of Dolutegravir.

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Impurity

Dolutegravir 4-fluoro impurity

Cat. No. ANTPRD13407CAS 1863916-88-4In StockSynthesized

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Technical Data

Cat. No.ANTPRD13407

CAS1863916-88-4

Rel. CAS3093141-60-4 sodium salt

Mol. FormulaC₂₀H₂₀FN₃O₅

Mol. Weight401.394 g/mol

IUPAC(3S,7R)-N-[(4-fluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

SMILESC[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4)c(=O)c(O)c3C(=O)N12

InChIInChI=1S/C20H20FN3O5/c1-11-6-7-29-15-10-23-9-14(17(25)18(26)16(23)20(28)24(11)15)19(27)22-8-12-2-4-13(21)5-3-12/h2-5,9,11,15,26H,6-8,10H2,1H3,(H,22,27)/t11-,15+/m1/s1

InChI KeyWINWILCOHJPYNO-ABAIWWIYSA-N

Description

Overview

Dolutegravir 4-fluoro impurity, Dolutegravir, 1863916-88-4, (3S,7R)-N-[(4-fluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

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Synonyms

Defluoro Dolutegravir (>85%)Defluoro dolutegravirDolutegravir 2-desfluoro impurity(4R,12aS)-N-((4-Fluorophenyl)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-carboxamide2H-Pyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazine-9-carboxamide, N-((4-fluorophenyl)methyl)-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-Dolutegravir Impurity 82H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(4-fluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-; GSK 2968453A4-Fluoro dolutegravir2-DESFLUORO-4-FLUORO DOLUTEGRAVIR(4R,12aS)-N-(4-fluorobenzyl)-7-hydroxy-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