Sofosbuvir
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Identity
Sofosbuvir
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID: 45375808
Sofosbuvir is a nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection. It has a role as an antiviral drug, a prodrug and a hepatitis C protease inhibitor. It is a phosphoramidate ester, an isopropyl ester, an organofluorine compound, a nucleotide conjugate and a L-alanyl ester. It is functionally related to a uridine 5'-monophosphate.
2D Structure
Properties
C22H29FN3O9P
Molecular Formula
529.50
Molecular Weight
g/mol
529.1625
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
153
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
913
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3Isomeric SMILES
SMILES: C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3Synonyms(20)
SOFOSBUVIR1190307-88-0PSI-7977SOVALDIGS-7977PSI 7977GS7977GS 7977WJ6CA3ZU8BPSI7977CHEBI:85083VOSEVI COMPONENT SOFOSBUVIRDTXSID701027632EPCLUSA COMPONENT SOFOSBUVIRHARVONI COMPONENT SOFOSBUVIR
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Sofosbuvir
Loading drug network...