| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C19H23NO3
|
|---|
| Exact mass |
313.1678
|
|---|
| Mol weight |
313.3908
|
|---|
| Structure |
   |
|---|
| Simcomp |
 |
|---|
| Remark |
|
|---|
| Efficacy |
Antidepressant, Selective noradrenaline reuptake inhibitor (NRI) |
|---|
| Comment |
Fluoxetine derivative
Treatment of depression
|
|---|
| Target |
|
|---|
| Structure map |
| map07234 | Neurotransmitter transporter inhibitors |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A2 (NAT1)
D09340 Esreboxetine (USAN/INN)
 |
|---|
| Other DBs |
|
|---|
| LinkDB |
 |
|---|
| KCF data |
ATOM 23
1 C8x C 16.2400 -24.2900
2 C8x C 16.2400 -22.8900
3 C8y C 17.4300 -22.1900
4 C8y C 18.6900 -22.8900
5 C8x C 18.6900 -24.2900
6 C8x C 17.4300 -24.9900
7 O2a O 17.4300 -20.7900
8 O2a O 19.8800 -22.1900
9 C1c C 21.0700 -22.8900
10 C1y C 22.2600 -22.1900
11 O2x O 22.2600 -20.7900
12 C1x C 23.5200 -20.0900
13 C1x C 24.7100 -20.7900
14 N1x N 24.7100 -22.1900
15 C1x C 23.5200 -22.8900
16 C8y C 21.0700 -24.2900
17 C8x C 22.2600 -24.9900
18 C8x C 22.2600 -26.3900
19 C8x C 21.0700 -27.0900
20 C8x C 19.8800 -26.3900
21 C8x C 19.8800 -24.9900
22 C1b C 18.6453 -20.0949
23 C1a C 18.6511 -18.6903
BOND 25
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 3 7 1
8 4 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 10 15 1
17 9 16 1 #Down
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 7 22 1
25 22 23 1
|
|---|
