Emtricitabine

Synonyms: Emtricitabine, "Emtriva", "Coviracil", "(-)-FTC", "Racivir", "4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one", "Emtritabine", "2-FTC", "(-)-2'-Deoxy-5-fluoro-3'-thiacytidine", "UNII-G70B4ETF4S", "DRG-0208", "2'-Deoxy-5-fluoro-3'-thiacytidine", "BW 524W91", "BW 1592", "2',3',5-FTC", "CHEBI:31536", "3'-Thia-2'.3'-dideoxy-5-fluorocytidine", "HSDB 7337", "FTC-(-)", "2'-Deoxy-5-fluoro-3'-oxa-4'-thiocytidine"

Source: Emtricitabine is a drug that could be used in con-infected HIV patients with the inconvenience of cross-resistance to lamivudine.

Identifiers:

IUPAC Name: 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CAS Number: 143491-57-0
PubChem ID: 60877
InChiKey: XQSPYNMVSIKCOC-NTSWFWBYSA-N
Canonical SMILES: C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F

Structural Properties:

Molecular Formula: C₈H₁₀FN₃O₃S
Molecular Weight: 247,250

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 16

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Rimayi, C., Odusanya, D., Weiss, J. M., de Boer, J., & Chimuka, L. (2018). Contaminants of emerging concern in the Hartbeespoort Dam catchment and the uMngeni River estuary 2016 pollution incident, South Africa. Science of the Total Environment, 627, 1008-1017.

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2D-structure

3D-structure