Lamivudine

Synonyms: lamivudine, "Epivir", "Zeffix", "Heptovir", "Epivir-HBV", "Hepitec", "Heptodin", "BCH-189", "3TC", "Heptivir", "CIS-LAMIVUDINE", "2',3'-Dideoxy-3'-thiacytidine", "(-)-2'-Deoxy-3'-thiacytidine", "GR109714X", "GR-109714X", "4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one", "3'-Thia-2',3'-dideoxycytidine", "(-)-BCH-189", "Lamivudine [USAN:BAN:INN]", "beta-L-3'-Thia-2',3'-dideoxycytidine", "beta-L-2',3'-Dideoxy-3'-thiacytidine", "(-)NGPB-21", "(-)-BCH 189"

Source: Lamivudine is a drug that is mainly used for the treatment and prevention of HIV and chronical hepatitis B.

Identifiers:

IUPAC Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CAS Number: 134678-17-4
PubChem ID: 60825
InChiKey: JTEGQNOMFQHVDC-NKWVEPMBSA-N
Canonical SMILES: C1C(OC(S1)CO)N2C=CC(=NC2=O)N

Structural Properties:

Molecular Formula: C₈H₁₁N₃O₃S
Molecular Weight: 229,260

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 15

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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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