| Entry |
|
|---|
| Name |
Clenbuterol (INN);
Contraspasmin (TN);
Planipart [veterinary] (TN)
|
|---|
| Formula |
C12H18Cl2N2O
|
|---|
| Exact mass |
276.0796
|
|---|
| Mol weight |
277.1901
|
|---|
| Structure |
     |
|---|
| Activity |
Bronchodilator;
beta2-Sympathomimetic [DS: H00079]
|
|---|
| Remark |
|
|---|
| Comment |
long-acting beta-adrenoceptor agonist (LABA)
|
|---|
| Target |
beta2-adrenergic receptor agonist [HSA: 154] [KO: K04142] |
|---|
| Pathway |
|
|---|
| 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
R03AC14 Clenbuterol
D07713 Clenbuterol (INN)
R03C ADRENERGICS FOR SYSTEMIC USE
R03CC Selective beta-2-adrenoreceptor agonists
R03CC13 Clenbuterol
D07713 Clenbuterol (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta2-adrenergic receptor [HSA:154] [KO:K04142]
Clenbuterol [ATC:R03AC14 R03CC13]
D07713 Clenbuterol (INN)
 |
|---|
| Other DBs |
CAS: 37148-27-9 PubChem: DrugBank: LigandBox: NIKKAJI: |
|---|
| KCF data |
ATOM 17
1 C1d C 27.4400 -18.0600
2 N1b N 26.1800 -18.7600
3 C1a C 28.7000 -17.2900
4 C1b C 24.9900 -18.0600
5 C1c C 23.8000 -18.7600
6 C8y C 22.6100 -18.0600
7 O1a O 23.8000 -20.1600
8 C8x C 22.6100 -16.6600
9 C8x C 21.4200 -18.7600
10 C8y C 21.4200 -15.9600
11 C8y C 20.1600 -18.0600
12 C8y C 20.1600 -16.6600
13 X Cl 21.4200 -14.5600
14 X Cl 18.9700 -18.7600
15 N1a N 18.9700 -15.9600
16 C1a C 28.1400 -19.3200
17 C1a C 26.7400 -16.8700
BOND 17
1 1 2 1
2 1 3 1
3 2 4 1
4 4 5 1
5 5 6 1
6 5 7 1
7 6 8 1
8 6 9 2
9 8 10 2
10 9 11 1
11 10 12 1
12 10 13 1
13 11 14 1
14 11 12 2
15 12 15 1
16 1 16 1
17 1 17 1
|
|---|
