Molecular Identity
Emtricitabine
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
PubChem CID: 60877
Emtricitabine is an organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection. It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor. It is an organofluorine compound, a pyrimidone, a monothioacetal and a nucleoside analogue.
2D Structure
Properties
C8H10FN3O3S
Molecular Formula
247.25
Molecular Weight
g/mol
247.0427
Exact Mass
Da
-0.6
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
374
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Emtricitabine143491-57-0CoviracilEmtriva4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one524W91dOTFCBW-524W914-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one2-FTC(-)-2'-Deoxy-5-fluoro-3'-thiacytidine(-)-emtricitabine2'-Deoxy-5-fluoro-3'-thiacytidineEmtricitabinaEmtricitabinum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Emtricitabine
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