Molecular Identity
ketamine
2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
PubChem CID: 3821
Ketamine is a member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. It has a role as an analgesic, a xenobiotic, an intravenous anaesthetic, a neurotoxin, a NMDA receptor antagonist and an environmental contaminant. It is a member of cyclohexanones, a secondary amino compound and a member of monochlorobenzenes. It is functionally related to a norketamine.
2D Structure
Properties
C13H16ClNO
Molecular Formula
237.72
Molecular Weight
g/mol
237.0920
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
29.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
269
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ketaminedl-KetamineKetajectSpecial K(+-)-KetamineCI 581 baseKetaminumCLSTA 206740-88-1CalypsolnarketanCetaminaTekamketamina2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone
Data from PubChem (NCBI)
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Drug Network
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