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Deschloroketamine, or 2-Phenyl-2-(methylamino)cyclohexanone, is classed as an arylcyclohexylamine drug. Arylcyclohexylamine drugs are named for their structures which include a cyclohexane ring bound to an aromatic ring along with an amine group. Descholoroketamine contains a phenyl ring bonded to a cyclohexane ring substituted with an oxo group (cyclohexanone). An amino methyl chain (-N-CH3) is bound to the adjacent alpha carbon (R2) of the cyclohexanone ring.

Descholoroketamine is a chiral molecule and is often produced as a racemate. Des- is a prefix used in chemistry to denote the absence of a functional group (in this case "chloro") hence deschloroketamine is named for lacking a chlorine substitution on its phenyl ring, which is found in ketamine.