| Entry |
|
|---|
| Name |
Isoetharine hydrochloride (USP);
BETA-2 (TN) |
|---|
| Formula |
C13H21NO3. HCl
|
|---|
| Exact mass |
275.1288
|
|---|
| Mol weight |
275.7717
|
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| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01951 Catecholamine adrenergic receptor agonist
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist
DG01461 beta1-Adrenergic receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
|---|
| 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
R03AC07 Isoetarine
D02093 Isoetharine hydrochloride (USP)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D02093 Isoetharine hydrochloride (USP)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 18
1 C8y C 16.0300 -15.4700
2 C1c C 17.2200 -14.7700
3 C8x C 16.0300 -16.8700
4 C8x C 14.8400 -14.7700
5 C1c C 18.4800 -15.4700
6 O1a O 17.2200 -13.3700
7 C8x C 14.8400 -17.5700
8 C8y C 13.6500 -15.4700
9 N1b N 19.6700 -14.7700
10 C1b C 18.4800 -16.8700
11 C8y C 13.6500 -16.8700
12 C1c C 20.9300 -15.4700
13 O1a O 12.3900 -17.5700
14 C1a C 22.1200 -14.7700
15 C1a C 20.9300 -16.8700
16 C1a C 19.6700 -17.5700
17 O1a O 12.4347 -14.7749
18 X Cl 24.9200 -16.3100
BOND 17
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 1
10 7 11 1
11 9 12 1
12 11 13 1
13 12 14 1
14 12 15 1
15 8 11 2
16 10 16 1
17 8 17 1
|
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