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1616342-45-0

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1616342-45-0 Structure

1616342-45-0 Structure
IdentificationBack Directory
[Name]

(2R,5S,13aR)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid
[CAS]

1616342-45-0
[Synonyms]

BNKY010-BC01
(2R,5S,13aR)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2
(2R,5S)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid
(2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-methoxy-7,9-dioxo-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid
(2R,5S,13aR)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid
(2R,5S,13aR)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]ox47azepine-10-carboxylic acid
2,5-Methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid, 2,3,4,5,7,9,13,13a-octahydro-8-methoxy-7,9-dioxo-, (2R,5S,13aR)-
[Molecular Formula]

C15H16N2O6
[MDL Number]

MFCD31730918
[MOL File]

1616342-45-0.mol
[Molecular Weight]

320.3
Chemical PropertiesBack Directory
[Boiling point ]

591.5±50.0 °C(Predicted)
[density ]

1.58±0.1 g/cm3(Predicted)
[pka]

5.52±0.20(Predicted)
[InChI]

InChI=1S/C15H16N2O6/c1-22-13-11-14(19)17-7-2-3-8(4-7)23-10(17)6-16(11)5-9(12(13)18)15(20)21/h5,7-8,10H,2-4,6H2,1H3,(H,20,21)/t7-,8+,10+/m0/s1
[InChIKey]

GARGTTZRFPGJSI-QXFUBDJGSA-N
[SMILES]

O1[C@@]2([H])C[C@]([H])(CC2)N2C(=O)C3=C(OC)C(=O)C(C(O)=O)=CN3C[C@@]12[H]
Hazard InformationBack Directory
[Uses]

(2R,5S,13aR)-8-Methoxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic Acid is a Bictegravir (1611493-60-7) intermediate and an antiviral agent.
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