Fentanyl

Synonyms: fentanyl, "Fentanil", "Phentanyl", "Fentora", "Sublimaze", "Fentanila", "Fentanest", "Duragesic", "Fentanylum", "Durogesic", "Sentonil", "Duragesic-100", "IONSYS", "Duragesic-25", "Duragesic-75", "Duragesic-50", "Duragesic-12", "Fentanyl-25", "Fentanyl-75", "Fentanyl-12", "Fentanyl-50", "Fentanyl-100", "1-Phenethyl-4-N-propionylanilinopiperidine", "Matrifen", "Sublimase", "N-(1-Phenethylpiperidin-4-yl)-N-phenylpropionamide", "N-(1-Phenethyl-4-piperidyl)propionanilide", "N-Phenethyl-4-(N-propionylanilino)piperidine"

Source: Fentanyl is a potent opioid analgesic.

Identifiers:

IUPAC Name: N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CAS Number: 437-38-7
PubChem ID: 3345
InChiKey: PJMPHNIQZUBGLI-UHFFFAOYSA-N
Canonical SMILES: CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

Structural Properties:

Molecular Formula: C₂₂H₂₈N₂O
Molecular Weight: 336,500

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 25

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Edwards, Q. A., Sultana, T., Kulikov, S. M., Garner-O?Neale, L. D., Yargeau, V., & Metcalfe, C. D. (2018). Contaminants of emerging concern in wastewaters in Barbados, West Indies. Bulletin of environmental contamination and toxicology, 101(1), 1-6.

External Links

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2D-structure

3D-structure