Methylphenidate

Synonyms: methylphenidate, "Methylphenidan", "Phenidylate", "Concerta", "Calocain", "Plimasine", "Meridil", "Methylphenidatum", "Daytrana", "Ritalin", "Methyl phenidate", "Methyl phenidylacetate", "Metilfenidato [Italian]", "Methylfenidan", "Metilfenidato", "Metilfenidato [INN-Spanish]", "Methylphenidatum [INN-Latin]", "Methylin", "4311/B Ciba", "Methyl phenidyl acetate", "Metadate", "d-methylphenidate HCl", "Methyl alpha-phenyl-alpha-(2-piperidyl)acetate", "Methylphenidate HCl", "alpha-Phenyl-2-piperidineacetic acid methyl ester","methyl phenyl(piperidin-2-yl)acetate"

Source: Methylphenidate is an important stimulant prescribed to treat attention-deficit hyperactivity disorder.

Identifiers:

IUPAC Name: methyl 2-phenyl-2-piperidin-2-ylacetate
CAS Number: 113-45-1
PubChem ID: 4158
InChiKey: DUGOZIWVEXMGBE-UHFFFAOYSA-N
Canonical SMILES: COC(=O)C(C1CCCCN1)C2=CC=CC=C2

Structural Properties:

Molecular Formula: C₁₄H₁₉NO₂
Molecular Weight: 233,310

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 17

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Evidence Supporting This Chemical as an Emerging Contaminant

Du, B., Price, A. E., Scott, W. C., Kristofco, L. A., Ramirez, A. J., Chambliss, C. K., ... & Brooks, B. W. (2014). Comparison of contaminants of emerging concern removal, discharge, and water quality hazards among centralized and on-site wastewater treatment system effluents receiving common wastewater influent. Science of the Total environment, 466, 976-984.

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