Clopidogrel

Synonyms: clopidogrel, "(S)-Clopidogrel", "Plavix", "Clopidogrel sulfate", "Plavix (TN)", "methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate", "Clopidogrelum", "Thrombo", "Clopidogrel BMS", "Clopidogrel Hexal", "Clopidogrel Acino", "methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate".

Source: Clopidogrel is a commonly prescribed antiplatelet drug in patients with stents and histories of arterial vascular disease.

Identifiers:

IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CAS Number: 113665-84-2
PubChem ID: 60606
InChiKey: GKTWGGQPFAXNFI-HNNXBMFYSA-N
Canonical SMILES: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3

Structural Properties:

Molecular Formula: C₁₆H₁₆ClNO₂S
Molecular Weight: 321.8

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 21

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Evidence Supporting This Chemical as an Emerging Contaminant

Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.

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