Trimethoprim
Synonyms: trimethoprim, "Proloprim", "Trimpex", "Trimopan", "Trimetoprim", "Monotrimin", "Monotrim", "Bactramin", "Trimanyl", "Syraprim", "Wellcoprim", "Monoprim", "Triprim", "Uretrim", "2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine", "Sulfamethoprim", "Trimethoprimum", "Trimethoprime", "5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine", "Trimetoprima", "Abaprim", "Apo-Sulfatrim", "Trimethioprim", "Trisulfam", "Trisulcom", "Sugaprim", "Novotrimel", "Lagatrim", "Fermagex", "Espectrin", "Cotrimel", "Chemotrin", "Zamboprim", "Sulfoxaprim", "Sulfamar", "Sinotrim", "Pancidim", "NIH 204", "Bacticel", "Wellcoprin", "Urobactrim".
Source: Trimethoprim is a common drug used in treatment of urinary tract infections.
Identifiers:
IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CAS Number: 738-70-5
PubChem ID: 5578
InChiKey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
Structural Properties:
Molecular Formula: C14H18N4O3
Molecular Weight: 290.32
Pharmacophore Features:
Number of bond donors: 2
Number of bond acceptors: 7
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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