Entry |
|
Name |
Napitane mesylate (USAN) |
Formula |
C22H25NO2. CH4SO3
|
Exact mass |
431.1766
|
Mol weight |
431.55
|
Structure |
|
Class |
Neuropsychiatric agent
DG03085 Selective norepinephrine reuptake inhibitor (NRI)
|
Efficacy |
Antidepressant |
Target |
|
Pathway |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03085 Selective norepinephrine reuptake inhibitor (NRI)
D05120 Napitane mesylate
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A2 (NAT1)
D05120 Napitane mesylate (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 30
1 C8y C 34.1480 -23.6976
2 C8x C 34.1480 -25.0998
3 C8x C 35.3399 -25.8009
4 C8y C 36.5318 -25.0998
5 C8y C 36.5318 -23.6976
6 C8y C 35.3399 -22.9965
7 C1y C 37.7938 -25.8009
8 C1x C 38.9857 -25.0998
9 C1x C 38.9857 -23.6976
10 C1x C 37.7938 -22.9965
11 O2x O 35.0595 -21.6644
12 C1x C 33.6572 -21.5242
13 O2x O 33.0963 -22.7862
14 C1b C 37.7938 -27.2031
15 N1y N 38.9857 -27.9043
16 C1x C 38.9857 -29.3065
17 C1x C 40.3178 -29.7973
18 C1y C 41.1591 -28.6054
19 C1x C 40.3178 -27.4836
20 C8y C 42.4912 -28.6054
21 C8x C 43.1923 -29.8674
22 C8x C 44.5945 -29.8674
23 C8x C 45.2956 -28.6054
24 C8x C 44.6647 -27.4135
25 C8x C 43.2624 -27.4135
26 O1d O 48.8012 -24.8895
27 S4a S 48.8012 -26.2917
28 C1a C 47.3990 -26.2917
29 O1d O 50.2034 -26.2917
30 O1d O 48.8012 -27.6939
BOND 33
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 6 11 1
13 11 12 1
14 12 13 1
15 1 13 1
16 7 14 1 #Up
17 14 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 15 19 1
23 18 20 1 #Up
24 20 21 2
25 21 22 1
26 22 23 2
27 23 24 1
28 24 25 2
29 20 25 1
30 26 27 2
31 27 28 1
32 27 29 1
33 27 30 2
|