| Entry |
|
|---|
| Name |
Ritobegron ethyl hydrochloride (JAN) |
|---|
| Formula |
C23H31NO5. HCl
|
|---|
| Exact mass |
437.1969
|
|---|
| Mol weight |
437.9569
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01453 beta3-Adrenergic receptor agonist
|
|---|
| Efficacy |
Overactive bladder agent, beta3-Adrenergic receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01453 beta3-Adrenergic receptor agonist
D09732 Ritobegron ethyl hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB3
D09732 Ritobegron ethyl hydrochloride (JAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8x C 9.4500 -16.8700
2 C8y C 9.4500 -15.4700
3 C8x C 10.6400 -14.7700
4 C8x C 11.9000 -15.4700
5 C8y C 11.9000 -16.8700
6 C8x C 10.6400 -17.5700
7 O1a O 8.2600 -14.7700
8 C1c C 13.0900 -17.5700
9 C1c C 14.2800 -16.8700
10 O1a O 13.0900 -18.9700
11 N1b N 15.4700 -17.5700
12 C1a C 14.2800 -15.4700
13 C1b C 16.6600 -16.8700
14 C1b C 17.8500 -17.5700
15 C8y C 19.0400 -16.8700
16 C8x C 19.0400 -15.4700
17 C8y C 20.3000 -14.7700
18 C8y C 21.4900 -15.4700
19 C8x C 21.4900 -16.8700
20 C8y C 20.3000 -17.5700
21 C1a C 20.3000 -18.9700
22 C1a C 20.3000 -13.3700
23 O2a O 22.6800 -14.7700
24 C1b C 23.9400 -15.4700
25 C7a C 25.1300 -14.7700
26 O7a O 26.3200 -15.4700
27 O6a O 25.1300 -13.3700
28 C1b C 27.5100 -14.7700
29 C1a C 28.7000 -15.4700
30 X Cl 28.8400 -18.7600
BOND 30
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 2 7 1
8 5 8 1
9 8 9 1
10 8 10 1 #Down
11 9 11 1
12 9 12 1 #Down
13 11 13 1
14 13 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 20 21 1
23 17 22 1
24 18 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 25 27 2
29 26 28 1
30 28 29 1
|
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