| Entry |
|
|---|
| Name |
Soterenol hydrochloride (USAN) |
|---|
| Formula |
C12H20N2O4S. HCl
|
|---|
| Exact mass |
324.0911
|
|---|
| Mol weight |
324.83
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
|---|
| Comment |
Phenethylamine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D05902 Soterenol hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 X Cl 19.0937 -25.7751
2 C8y C 10.1500 -21.5600
3 C8y C 10.1500 -22.9600
4 C8x C 11.3624 -23.6600
5 C8y C 12.5749 -22.9600
6 C8x C 12.5749 -21.5600
7 C8x C 11.3624 -20.8600
8 C1c C 13.8060 -23.6710
9 C1b C 15.0112 -22.9753
10 O1a O 13.8057 -25.0599
11 N1b N 16.1935 -23.6581
12 C1c C 17.3875 -22.9688
13 C1a C 18.5754 -23.6548
14 C1a C 17.3877 -21.5603
15 O1a O 8.9376 -20.8600
16 N1b N 8.9376 -23.6600
17 S4a S 7.7421 -22.9696
18 C1a C 6.5547 -23.6551
19 O3c O 6.7521 -21.9797
20 O3c O 8.7320 -21.9797
BOND 19
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 5 8 1
8 8 9 1
9 8 10 1
10 9 11 1
11 11 12 1
12 12 13 1
13 12 14 1
14 2 15 1
15 3 16 1
16 16 17 1
17 17 18 1
18 17 19 2
19 17 20 2
|
|---|
