Methadone

Synonyms: methadone, "dl-Methadone", "Phenadone", "Dolophine", "Amidone", "Adanon", "Ketalgin", "Methadon", "Dolophin", "Diaminon", "Physeptone", "Heptadone", "Algovetin", "Heptanon", "Sedo-Rapide", "Racemic methadone", "76-99-3", "Amidon", "(+/-)-Methadone", "Methadonum", "(+-)-Methadone", "6-(dimethylamino)-4,4-diphenylheptan-3-one", "Metadone [DCIT]", "l-Methadone", "Methadone HCL", "Dolophine HCL", "6-Dimethylamino-4,4-diphenyl-3-heptanone"

Source: Methadone is a synthetic opioid used to treat chronic pain and for maintenance therapy in opiate dependence.

Identifiers:

IUPAC Name: 6-(dimethylamino)-4,4-diphenylheptan-3-one
CAS Number: 76-99-3
PubChem ID: 4095
InChiKey: USSIQXCVUWKGNF-UHFFFAOYSA-N
Canonical SMILES: CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

Structural Properties:

Molecular Formula: C₂₁H₂₇NO
Molecular Weight: 309,400

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 23

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Evidence Supporting This Chemical as an Emerging Contaminant

Riva, F., Castiglioni, S., Fattore, E., Manenti, A., Davoli, E., & Zuccato, E. (2018). Monitoring emerging contaminants in the drinking water of Milan and assessment of the human risk. International journal of hygiene and environmental health, 221(3), 451-457.

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