Esketamine

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Systematic / IUPAC Name: (2S)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone

ID: Reference2222

Other Names: (S)-Ketamine;
L-Ketamine;
(S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone;
cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino), (2S)-;
(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone ; more

Formula: C13H16ClNO

Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

Esketamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 46
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 11:59:25 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1
InChI Key YQEZLKZALYSWHR-ZDUSSCGKSA-N
Canonical SMILES CNC1(CCCCC1=O)C2=CC=CC=C2Cl
CAS
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Other Names (S)-Ketamine;
L-Ketamine;
(S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone;
cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino), (2S)-;
(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone;
Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino), (S)-;
(-)-Ketamine

In Other Databases

ChEBI CHEBI:60799
PubChem 182137
ChemSpider 158414
KEGG D07283
ChEMBL CHEMBL395091
ChemIDPlus 033643468
Wikipedia Esketamine