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1973402-05-9

1973402-05-9 Structure

1973402-05-9 Structure
IdentificationBack Directory
[Name]

Dolutegravir Impurity 3
[CAS]

1973402-05-9
[Synonyms]

Dolutegravir impurity A
Dolutegravir Impurity 3
Dolutegravir Impurity 51
DolutegravirImpurity9SodiumSalt
(R)-N-(2,4-difluorobenzyl)-9-hydroxy-2-(4-hydroxybutan-2-yl)-1,8-dioxo-2,8-dihydro-1H-pyrido[1,2-a]p
(R)-N-(2,4-difluorobenzyl)-9-hydroxy-2-(4-hydroxybutan-2-yl)-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide
N-[(2,4-Difluorophenyl)methyl]-1,8-dihydro-9-hydroxy-2-[(1R)-3-hydroxy-1-methylpropyl]-1,8-dioxo-2H-pyrido[1,2-a]pyrazine-7-carboxamide
2H-Pyrido[1,2-a]pyrazine-7-carboxamide, N-[(2,4-difluorophenyl)methyl]-1,8-dihydro-9-hydroxy-2-[(1R)-3-hydroxy-1-methylpropyl]-1,8-dioxo-
Dolutegravir impurity 2/2H-Pyrido[1,2-a]pyrazine-7-carboxamide, N-[(2,4-difluorophenyl)methyl]-1,8-dihydro-9-hydroxy-2-[(1R)-3-hydroxy-1-methylpropyl]-1,8-dioxo-
[Molecular Formula]

C20H19F2N3O5
[MOL File]

1973402-05-9.mol
[Molecular Weight]

419.38
Chemical PropertiesBack Directory
[Melting point ]

95-100°C
[Boiling point ]

662.3±55.0 °C(Predicted)
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.50±1.00(Predicted)
[color ]

Yellow
[InChIKey]

NQVIDZANHVWALI-LLVKDONJSA-N
[SMILES]

C12=C(O)C(=O)C(C(NCC3=CC=C(F)C=C3F)=O)=CN1C=CN([C@H](C)CCO)C2=O
Hazard InformationBack Directory
[Uses]

(R)-N-(2,4-Difluorobenzyl)-9-hydroxy-2-(4-hydroxybutan-2-yl)-1,8-dioxo-2,3,4,8-tetrahydro-1H-pyrido[1,2-a]pyrazine-7-carboxamide is impurity E of Dolutegravir (D528800), which is a second generation HIV-1 integrase strand transfer inhibitor. Dolutegravir is currently in Phase III clinical trials for the treatment of HIV infection. Dolutegravir has been shown to potently inhibit HIV replication in cells such as peripheral blood mononuclear cells (PBMCs), MT-4 cells and CIP4 cells infected with a self-inactivating PHIV lentiviral vector.
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