Bemnifosbuvir Sulfate
bis(propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate);sulfuric acid
Molecular Identity
Bemnifosbuvir Sulfate
bis(propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate);sulfuric acid
PubChem CID: 155926085
2D Structure
Properties
C48H68F2N14O18P2S
Molecular Formula
1261.10
Molecular Weight
g/mol
1260.4000
Exact Mass
Da
453
TPSA
May have limited oral absorption
10
H-Bond Donors
32
H-Bond Acceptors
1000
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4.CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4.OS(=O)(=O)OIsomeric SMILES
SMILES: C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4.C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4.OS(=O)(=O)OSynonyms(20)
Bemnifosbuvir sulfateBemnifosbuvir hemisulfateDAI4WL7JQ62241337-84-6AT-527AT527Hemi-sulfate salt of AT-511AT 527RO 7496998RO-7496998RO7496998RefChem:115394R07496998Bemnifosbuvir sulfate [USAN]UNII-DAI4WL7JQ6
Data from PubChem (NCBI)
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Trials and conditions connected to Bemnifosbuvir Sulfate
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