KEGG   DRUG: Esmethadone
Entry
D12214                      Drug                                   
Name
Esmethadone (USAN);
Dextromethadone
Formula
C21H27NO
Exact mass
309.2093
Mol weight
309.4452
Structure
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
Remark
Chemical structure group: DG03176
Efficacy
Antidepressant, NMDA receptor antagonist
Comment
Treatment of depression
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04728  Dopaminergic synapse
Interaction
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01498  NMDA receptor antagonist
   DG03176  Esmethadone
    D12214  Esmethadone
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D12214  Esmethadone (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01498  NMDA receptor antagonist
   DG03176  Esmethadone
Other DBs
CAS: 5653-80-5
LinkDB
KCF data

ATOM        23
            1   C8x C    15.4649  -17.4942
            2   C8x C    15.4649  -18.8937
            3   C8x C    16.6545  -19.5935
            4   C8x C    17.8441  -18.8937
            5   C8y C    17.8441  -17.4942
            6   C8x C    16.6545  -16.8644
            7   C8x C    20.1533  -18.8937
            8   C8y C    20.1533  -17.4942
            9   C1d C    18.9637  -16.8644
            10  C8x C    21.3429  -19.5935
            11  C8x C    22.5325  -18.8937
            12  C8x C    22.5325  -17.4942
            13  C8x C    21.3429  -16.8644
            14  C1b C    18.9637  -15.4649
            15  C1c C    20.1533  -14.7651
            16  C5a C    17.0044  -15.7448
            17  C1a C    21.3429  -15.4649
            18  N1c N    20.1533  -13.5055
            19  C1a C    21.3429  -12.8058
            20  C1a C    18.9637  -12.8058
            21  O5a O    17.0044  -14.4152
            22  C1b C    15.8148  -16.4445
            23  C1a C    14.6951  -15.7448
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17    9  16 1
            18   15  17 1 #Up
            19   15  18 1
            20   18  19 1
            21   18  20 1
            22   16  21 2
            23   16  22 1
            24   22  23 1

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