Ketamine

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

ID: Reference1062

Other Names: Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-;
Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-;
2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone;
Ketaject;
Ketanest ; more

Formula: C13H16ClNO

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

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 327
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/7/2018 11:23:14 AM
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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
InChI Key YQEZLKZALYSWHR-UHFFFAOYSA-N
Canonical SMILES CNC1(CCCCC1=O)C2=CC=CC=C2Cl
CAS 6740881
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Other Names Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-;
Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-;
2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone;
Ketaject;
Ketanest;
DL-Ketamine;
Ketalar;
Ketolar;
Special K

In Other Databases

KEGG C07525; D08098
ChEMBL CHEMBL742
ChemSpider 3689
ChemIDPlus 006740881
DrugBank APRD00493
Wikipedia Ketamine
ChEBI CHEBI:6121
PubChem 3821