| Entry |
|
|---|
| Name |
Esmethadone hydrochloride (USAN);
Dextromethadone hydrochloride |
|---|
| Formula |
C21H27NO. HCl
|
|---|
| Exact mass |
345.1859
|
|---|
| Mol weight |
345.90
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01498 NMDA receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidepressant, NMDA receptor antagonist |
|---|
| Comment |
Treatment of depression
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01498 NMDA receptor antagonist
DG03176 Esmethadone
D12215 Esmethadone hydrochloride
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Glutamate (ionotropic), NMDA
GRIN (NMDAR)
D12215 Esmethadone hydrochloride (USAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01498 NMDA receptor antagonist
DG03176 Esmethadone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 X Cl 23.8823 -15.7122
2 C8x C 14.1059 -17.5278
3 C8x C 14.1059 -18.9245
4 C8x C 15.2931 -19.6228
5 C8x C 16.4802 -18.9245
6 C8y C 16.4802 -17.5278
7 C8x C 15.2931 -16.8994
8 C8x C 18.7846 -18.9245
9 C8y C 18.7846 -17.5278
10 C1d C 17.5975 -16.8994
11 C8x C 19.9718 -19.6228
12 C8x C 21.1589 -18.9245
13 C8x C 21.1589 -17.5278
14 C8x C 19.9718 -16.8994
15 C1b C 17.5975 -15.5027
16 C1c C 18.7846 -14.8044
17 C5a C 15.6422 -15.7821
18 C1a C 19.9718 -15.5027
19 N1c N 18.7846 -13.4776
20 C1a C 19.9718 -12.7793
21 C1a C 17.5975 -12.7793
22 O5a O 15.6422 -14.4553
23 C1b C 14.4551 -16.4804
24 C1a C 13.3378 -15.7821
BOND 24
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 8 9 1
8 9 10 1
9 6 10 1
10 8 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 9 14 2
15 10 15 1
16 15 16 1
17 10 17 1
18 16 18 1 #Up
19 16 19 1
20 19 20 1
21 19 21 1
22 17 22 2
23 17 23 1
24 23 24 1
|
|---|
