| Entry |
|
|---|
| Name |
Esmirtazapine maleate (USAN) |
|---|
| Formula |
C17H19N3. C4H4O4
|
|---|
| Exact mass |
381.1689
|
|---|
| Mol weight |
381.425
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG03077 Noradrenergic and specific serotonergic antidepressant (NaSSA)
|
|---|
| Efficacy |
Hypnotic |
|---|
| Comment |
Treatment of moderate to severe vasomotor symptoms associated with menopause, Treatment of primary insomnia
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03077 Noradrenergic and specific serotonergic antidepressant (NaSSA)
D04055 Esmirtazapine maleate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D04055 Esmirtazapine maleate (USAN)
Serotonin
HTR2A
D04055 Esmirtazapine maleate (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 28
1 C1y C 12.0576 -19.2780
2 N1y N 13.4596 -19.2780
3 C8y C 14.3009 -18.2265
4 C8y C 14.0205 -16.8244
5 C8y C 11.2164 -18.2265
6 C1x C 12.7586 -16.2636
7 C8y C 11.4968 -16.8244
8 C8x C 9.8844 -18.6471
9 C8x C 8.8329 -17.6656
10 C8x C 9.1133 -16.3337
11 C8x C 10.4453 -15.9131
12 C8x C 15.0019 -15.9131
13 C8x C 16.3338 -16.3337
14 C8x C 16.6843 -17.6656
15 N5x N 15.6328 -18.5770
16 C1x C 14.1607 -20.4697
17 C1x C 13.4596 -21.7315
18 N1y N 12.1277 -21.7315
19 C1x C 11.3566 -20.5398
20 C1a C 11.4267 -22.9934
21 C2b C 23.1337 -18.9976
22 C2b C 21.3110 -18.9976
23 C6a C 20.6801 -20.1893
24 C6a C 23.7646 -20.1893
25 O6a O 21.3110 -21.3810
26 O6a O 23.1337 -21.3810
27 O6a O 25.1666 -20.1893
28 O6a O 19.3482 -20.1893
BOND 30
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 2
6 1 2 1
7 6 7 1
8 5 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 7 11 1
13 4 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 3 15 2
18 2 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 1 19 1
23 18 20 1
24 21 22 2
25 22 23 1
26 21 24 1
27 23 25 2
28 24 26 1
29 24 27 2
30 23 28 1
|
|---|
