| Entry |
|
|---|
| Name |
Lobeline sulfate;
Smokeless (TN) |
|---|
| Formula |
(C22H27NO2)2. H2SO4
|
|---|
| Exact mass |
772.3757
|
|---|
| Mol weight |
772.99
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Respiratory stimulant |
|---|
| Comment |
Analeptic, Nicotine withdrawal agent
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
DG01287 Lobeline
D08138 Lobeline sulfate
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRN
D08138 Lobeline sulfate
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01571 Nicotinic cholinergic receptor partial agonist
DG01287 Lobeline
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 55
1 C8x C 13.8155 -18.3088
2 C8x C 13.8155 -19.7118
3 C8x C 15.0782 -20.3431
4 C8x C 16.2707 -19.7118
5 C8y C 16.2707 -18.3088
6 C8x C 15.0782 -17.6073
7 C5a C 17.5333 -17.6073
8 C1b C 18.7259 -18.3088
9 O5a O 17.5333 -16.2044
10 C1y C 19.9184 -17.6073
11 N1y N 21.0408 -18.3088
12 C1y C 22.2333 -17.6073
13 C1x C 22.2333 -16.2044
14 C1x C 21.0408 -15.5029
15 C1x C 19.9184 -16.2044
16 C1b C 23.4959 -18.3088
17 C1c C 24.6885 -17.6073
18 C8y C 25.8810 -18.3088
19 C8x C 25.8810 -19.7118
20 C8x C 27.0735 -20.3431
21 C8x C 28.3362 -19.7118
22 C8x C 28.3362 -18.3088
23 C8x C 27.0735 -17.6073
24 O1a O 24.6885 -16.2044
25 C1a C 21.0408 -19.8521
26 S4a S 33.1062 -17.6073
27 O1d O 33.1062 -16.2044
28 O1d O 31.7033 -17.6073
29 O1d O 34.5092 -17.6073
30 O1d O 33.1062 -19.0103
31 C8x C 13.8155 -18.3088
32 C8x C 13.8155 -19.7118
33 C8x C 15.0782 -20.3431
34 C8x C 16.2707 -19.7118
35 C8y C 16.2707 -18.3088
36 C8x C 15.0782 -17.6073
37 C5a C 17.5333 -17.6073
38 C1b C 18.7259 -18.3088
39 C1y C 19.9184 -17.6073
40 N1y N 21.0408 -18.3088
41 C1y C 22.2333 -17.6073
42 C1x C 22.2333 -16.2044
43 C1x C 21.0408 -15.5029
44 C1x C 19.9184 -16.2044
45 C1b C 23.4959 -18.3088
46 C1c C 24.6885 -17.6073
47 C8y C 25.8810 -18.3088
48 C8x C 25.8810 -19.7118
49 C8x C 27.0735 -20.3431
50 C8x C 28.3362 -19.7118
51 C8x C 28.3362 -18.3088
52 C8x C 27.0735 -17.6073
53 O1a O 24.6885 -16.2044
54 C1a C 21.0408 -19.8521
55 O5a O 17.5333 -16.2044
BOND 58
1 26 27 2
2 26 28 1
3 26 29 1
4 26 30 2
5 1 2 2
6 2 3 1
7 3 4 2
8 4 5 1
9 5 6 2
10 1 6 1
11 5 7 1
12 7 8 1
13 7 9 2
14 10 8 1
15 10 11 1
16 11 12 1
17 12 13 1
18 13 14 1
19 14 15 1
20 10 15 1
21 12 16 1
22 16 17 1
23 17 18 1
24 18 19 2
25 19 20 1
26 20 21 2
27 21 22 1
28 22 23 2
29 18 23 1
30 17 24 1 #Down
31 11 25 1
32 31 32 2
33 32 33 1
34 33 34 2
35 34 35 1
36 35 36 2
37 31 36 1
38 35 37 1
39 37 38 1
40 37 55 2
41 39 38 1
42 39 40 1
43 40 41 1
44 41 42 1
45 42 43 1
46 43 44 1
47 39 44 1
48 41 45 1
49 45 46 1
50 46 47 1
51 47 48 2
52 48 49 1
53 49 50 2
54 50 51 1
55 51 52 2
56 47 52 1
57 46 53 1 #Down
58 40 54 1
BRACKET 1 12.8800 -21.4200 12.8800 -13.8600
1 28.7700 -13.8600 28.7700 -21.4200
1 2
ORIGINAL 1 1 2 3 4 5 6 7 8 10 11 12 13 14 15 16 17
1 18 19 20 21 22 23 24 27 25 26 9
REPEAT 1 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48
1 49 50 51 52 53 54 55 56 57 58 59
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