| Entry |
|
|---|
| Name |
Carbuterol hydrochloride (USAN) |
|---|
| Formula |
C13H21N3O3. HCl
|
|---|
| Exact mass |
303.135
|
|---|
| Mol weight |
303.7851
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-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
R03AC10 Carbuterol
D03402 Carbuterol hydrochloride (USAN)
R03C ADRENERGICS FOR SYSTEMIC USE
R03CC Selective beta-2-adrenoreceptor agonists
R03CC10 Carbuterol
D03402 Carbuterol hydrochloride (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
D03402 Carbuterol hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D03402 Carbuterol hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 X Cl 20.7200 -28.4900
2 C8y C 8.7500 -26.6000
3 C8y C 8.7500 -28.0000
4 C8x C 9.9624 -28.7000
5 C8y C 11.1749 -28.0000
6 C8x C 11.1749 -26.6000
7 C8x C 9.9624 -25.9000
8 O1a O 7.5376 -25.9000
9 N1b N 7.5376 -28.7000
10 C5a C 6.3421 -28.0096
11 N1a N 5.1547 -28.6951
12 O5a O 6.3420 -26.6003
13 C1c C 12.4060 -28.7110
14 C1b C 13.6112 -28.0153
15 O1a O 12.4057 -30.0999
16 N1b N 14.7935 -28.6981
17 C1d C 15.9875 -28.0088
18 C1a C 17.1999 -27.3088
19 C1a C 16.6875 -29.2212
20 C1a C 15.2875 -26.7964
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 2 8 1
8 3 9 1
9 9 10 1
10 10 11 1
11 10 12 2
12 5 13 1
13 13 14 1
14 13 15 1
15 14 16 1
16 16 17 1
17 17 18 1
18 17 19 1
19 17 20 1
|
|---|
