ESKETAMINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII L8P1H35P2Z
Parent Compound: ESKETAMINE

Structure

InChI Key VCMGMSHEPQENPE-ZOWNYOTGSA-N
Smiles CN[C@]1(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/t13-;/m0./s1

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

Pharmacology

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

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 60800
ChEMBL CHEMBL2364609
FDA SRS L8P1H35P2Z
PubChem 44632368
SureChEMBL SCHEMBL15239422
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