KETAMINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII O18YUO0I83
EPA CompTox DTXSID4040137
Parent Compound: KETAMINE

Structure

InChI Key VCMGMSHEPQENPE-UHFFFAOYSA-N
Smiles CNC1(c2ccccc2Cl)CCCCC1=O.Cl
InChI
InChI=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

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17Cl2NO
Molecular Weight 274.19
AlogP 2.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Glutamate [NMDA] receptor negative allosteric modulator NEGATIVE ALLOSTERIC MODULATOR PubMed PubMed PubMed DailyMed Wikipedia

Target Conservation

Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2D
Organism : Homo sapiens
O15399 ENSG00000105464
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 3B
Organism : Homo sapiens
O60391 ENSG00000116032
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 1
Organism : Homo sapiens
Q05586 ENSG00000176884
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2A
Organism : Homo sapiens
Q12879 ENSG00000183454
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2B
Organism : Homo sapiens
Q13224 ENSG00000273079
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2C
Organism : Homo sapiens
Q14957 ENSG00000161509
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 3A
Organism : Homo sapiens
Q8TCU5 ENSG00000198785

Cross References

Resources Reference
ChEBI 650657
ChEMBL CHEMBL1714
FDA SRS O18YUO0I83
Guide to Pharmacology 4233
KEGG C07843
PubChem 15851
SureChEMBL SCHEMBL26999
ZINC ZINC36294079
CONTENTS