Balapiravir
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular Identity
Balapiravir
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
PubChem CID: 11691726
2D Structure
Properties
C21H30N6O8
Molecular Formula
494.50
Molecular Weight
g/mol
494.2125
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
161
TPSA
May have limited oral absorption
1
H-Bond Donors
10
H-Bond Acceptors
971
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(=O)OCC1(C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)C(C)C)OC(=O)C(C)C)N=[N+]=[N-]Isomeric SMILES
SMILES: CC(C)C(=O)OC[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)OC(=O)C(C)C)OC(=O)C(C)C)N=[N+]=[N-]Synonyms(20)
balapiravir690270-29-2R-1626R1626VOT0LP7I9KRO4588161RO-4588161DTXSID40219098[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoateCytidine, 4'-C-azido-, 2',3',5'-tris(2-methylpropanoate)R 1626balapiravirum((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl)methyl 2-methylpropanoateRefChem:916692DTXCID60141589
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Balapiravir
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