Ketamine

Synonyms: ketamine, "Ketalar", "Ketaject", "dl-Ketamine", "Ketaminum", "Ketanest", "Ketalar base", "6740-88-1", "Ketamine Base", "2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone", "2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone", "2-(o-Chlorophenyl)-2-(methylamino)-cyclohexanone", "ketamina", "2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one"

Source: Ketamine is a powerful anaesthetic.

Identifiers:

IUPAC Name: 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
CAS Number: 6740-88-1
PubChem ID: 3821
InChiKey: YQEZLKZALYSWHR-UHFFFAOYSA-N
Canonical SMILES: CNC1(CCCCC1=O)C2=CC=CC=C2Cl

Structural Properties:

Molecular Formula: C₁₃H₁₆ClNO
Molecular Weight: 237,720

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

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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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2D-structure

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