Lamotrigine

Synonyms: lamotrigine, "6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine", "Lamictal", "Lamictal Cd", "Lamotrigina", "Lamotriginum", "Lamotriginum [Latin]", "Lamictal XR", "BW-430C", "Lamictal ODT", "BW 430C", "3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine", "1,2,4-Triazine-3,5-diamine, 6-(2,3-dichlorophenyl)-", "3,5-Diamino-6-(2,3-dichlorophenyl)-as-triazine".

Source: Lamotrigine is a second?generation antiepileptic drug.

Identifiers:

IUPAC Name: 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CAS Number: 84057-84-1
PubChem ID: 3878
InChiKey: PYZRQGJRPPTADH-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N

Structural Properties:

Molecular Formula: C₉H₇Cl₂N₅
Molecular Weight: 256,089

Pharmacophore Features:

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

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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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