Bictegravir, emtricitabine and tenofovir alafenamide
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;(1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
Molecular Identity
Bictegravir, emtricitabine and tenofovir alafenamide
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;(1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
PubChem CID: 129626368
2D Structure
Properties
C50H57F4N12O13PS
Molecular Formula
1173.10
Molecular Weight
g/mol
1172.3563
Exact Mass
Da
356
TPSA
May have limited oral absorption
6
H-Bond Donors
24
H-Bond Acceptors
1970
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3.C1CC2CC1N3C(O2)CN4C=C(C(=O)C(=C4C3=O)O)C(=O)NCC5=C(C=C(C=C5F)F)F.C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)FIsomeric SMILES
SMILES: C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3.C1C[C@@H]2C[C@H]1N3[C@H](O2)CN4C=C(C(=O)C(=C4C3=O)O)C(=O)NCC5=C(C=C(C=C5F)F)F.C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)FSynonyms(6)
Bictegravir, emtricitabine and tenofovir alafenamideRefChem:1079749BiktarvyPD173607Bictegravir / emtricitabine / tenofovir alafenamideS900007760
Data from PubChem (NCBI)
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Molecular Structure
Bictegravir, emtricitabine and tenofovir alafenamide
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Drug Network
Trials and conditions connected to Bictegravir, emtricitabine and tenofovir alafenamide
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