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CHEBI:60800 - esketamine hydrochloride

Default Structure
ChEBI IDCHEBI:60800
ChEBI Nameesketamine hydrochloride
Stars
DefinitionThe hydrochloride salt of esketamine.
Last Modified10 December 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H17ClNO.Cl
Net Charge0
Average Mass274.191
Monoisotopic Mass273.06872
SMILESC[NH2+][C@]1(c2ccccc2Cl)CCCCC1=O.[Cl-]
InChIInChI=1S/C13H16ClNO.ClH/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;1H/t13-;/m0./s1
InChIKeyVCMGMSHEPQENPE-ZOWNYOTGSA-N
Roles Classification
Biological Roles:
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
NMDA receptor antagonist  Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
NMDA receptor antagonist  Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs.
Applications:
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
ChEBI Ontology
Outgoing Relation(s)
esketamine hydrochloride (CHEBI:60800) has part esketamine (CHEBI:60799)
esketamine hydrochloride (CHEBI:60800) has role analgesic (CHEBI:35480)
esketamine hydrochloride (CHEBI:60800) has role intravenous anaesthetic (CHEBI:38877)
esketamine hydrochloride (CHEBI:60800) has role NMDA receptor antagonist (CHEBI:60643)
esketamine hydrochloride (CHEBI:60800) is a ketamine hydrochloride (CHEBI:650657)
IUPAC Names 
(1S)-1-(2-chlorophenyl)-N-methyl-2-oxocyclohexanaminium chloride
(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride
Synonyms  Source
esketamine HClChEBI
(S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone HClChEBI
(S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone hydrochlorideChEBI
(S)-ketamine HClChEBI
(S)-(+)-ketamine hydrochlorideChEBI
(S)-ketamine hydrochlorideChEBI
Brand Name  Source
Ketanest SChEBI
Manual XrefsDatabases
DB01221DrugBank
Registry NumbersSources
Reaxys:4279015Reaxys