| Entry |
|
|---|
| Name |
Bitolterol mesylate (USAN);
Bitolterol mesilate (JAN);
Tornalate (TN) |
|---|
| Formula |
C28H31NO5. CH4SO3
|
|---|
| Exact mass |
557.2083
|
|---|
| Mol weight |
557.6551
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01951 Catecholamine adrenergic receptor agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
|---|
| Comment |
Phenethylamine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03A ADRENERGICS, INHALANTS
R03AC Selective beta-2-adrenoreceptor agonists
R03AC17 Bitolterol
D00684 Bitolterol mesylate (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01056 Bitolterol
D00684 Bitolterol mesylate
DG01951 Catecholamine adrenergic receptor agonist
DG01056 Bitolterol
D00684 Bitolterol mesylate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D00684 Bitolterol mesylate (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01056 Bitolterol
DG01951 Catecholamine adrenergic receptor agonist
DG01056 Bitolterol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 39
1 S4a S 31.5702 -18.6125
2 C1a C 30.1764 -18.6067
3 O1d O 32.9641 -18.6125
4 O1d O 31.5644 -17.2186
5 O1d O 31.5644 -20.0122
6 C8y C 26.5399 -14.2854
7 C1c C 27.7531 -14.9859
8 C1b C 28.9665 -14.2854
9 N1b N 30.1797 -14.9859
10 C1d C 31.3930 -14.2854
11 C8x C 26.5399 -12.8845
12 C8x C 25.3266 -12.1840
13 C8y C 24.1133 -12.8845
14 C8y C 24.1133 -14.2854
15 C8x C 25.3266 -14.9859
16 O1a O 27.7531 -16.3869
17 C1a C 32.6062 -13.5849
18 O7a O 22.8813 -12.1730
19 O7a O 22.8813 -14.9969
20 C7a C 21.6753 -12.8691
21 C8y C 20.4922 -12.1859
22 C8x C 20.4923 -10.7832
23 C8x C 19.2791 -10.0826
24 C8y C 18.0658 -10.7830
25 C8x C 18.0656 -12.1856
26 C8x C 19.2788 -12.8862
27 C1a C 16.8512 -10.0816
28 O6a O 21.6749 -14.2850
29 C7a C 22.8813 -16.3979
30 C8y C 21.6848 -17.0887
31 O6a O 24.1017 -17.1026
32 C8x C 20.4874 -16.3971
33 C8x C 19.2740 -17.0975
34 C8y C 19.2738 -18.4985
35 C8x C 20.4712 -19.1900
36 C8x C 21.6846 -18.4897
37 C1a C 18.0508 -19.2046
38 C1a C 30.6397 -13.0795
39 C1a C 32.1228 -15.4539
BOND 40
1 1 2 1
2 1 3 1
3 1 4 2
4 1 5 2
5 6 7 1
6 7 8 1
7 8 9 1
8 9 10 1
9 6 11 2
10 11 12 1
11 12 13 2
12 13 14 1
13 14 15 2
14 6 15 1
15 7 16 1
16 10 17 1
17 13 18 1
18 14 19 1
19 18 20 1
20 20 21 1
21 21 22 2
22 22 23 1
23 23 24 2
24 24 25 1
25 25 26 2
26 21 26 1
27 24 27 1
28 20 28 2
29 19 29 1
30 29 30 1
31 29 31 2
32 30 32 2
33 32 33 1
34 33 34 2
35 34 35 1
36 35 36 2
37 30 36 1
38 34 37 1
39 10 38 1
40 10 39 1
|
|---|
