KEGG   DRUG: Esketamine hydrochlorideHelp
Entry
D10627                      Drug                                   

Name
Esketamine hydrochloride (USAN);
Spravato (TN)
Product
Formula
C13H16ClNO. HCl
Exact mass
273.0687
Mol weight
274.1862
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: N01AX14
Chemical structure group: DG01829
Product (DG01829): D10627<US>
Efficacy
Antidepressant, NMDA receptor antagonist
Comment
Treatment of depression
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
Metabolism
Enzyme: CYP2B6 [HSA:1555], CYP3A4 [HSA:1576]; CYP2C9 [HSA:1559], CYP2C19 [HSA:1557], UGT [KO:K00699]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AX Other general anesthetics
     N01AX14 Esketamine
      D10627  Esketamine hydrochloride (USAN) <US>
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D10627  Esketamine hydrochloride (USAN) <US>
BRITE hierarchy
Other DBs
CAS: 33643-47-9
PubChem: 254741588
ChEMBL: CHEMBL2364609
KCF data Show

ATOM        17
            1   C1z C    18.4150  -16.0505
            2   C8y C    17.2286  -16.7484
            3   C5x C    19.8108  -16.0505
            4   C1x C    17.7171  -14.8640
            5   N1b N    19.1129  -17.2369
            6   C8y C    15.9723  -16.0505
            7   C8x C    17.2286  -18.1442
            8   C1x C    20.5088  -14.7942
            9   O5x O    20.5088  -17.2369
            10  C1x C    18.4150  -13.6078
            11  C1a C    18.4150  -18.4932
            12  C8x C    14.7859  -16.7484
            13  X   Cl   15.9723  -14.6547
            14  C8x C    15.9723  -18.8421
            15  C1x C    19.8108  -13.6078
            16  C8x C    14.7859  -18.1442
            17  X   Cl   22.5337  -16.6801
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15   12  16 2
            16   10  15 1
            17   14  16 1

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