| Entry |
|
|---|
| Name |
Isoetharine (USP);
Isoetarine (INN) |
|---|
| Formula |
C13H21NO3
|
|---|
| Exact mass |
239.1521
|
|---|
| Mol weight |
239.3107
|
|---|
| 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 |
Catecholamine 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
R03AC07 Isoetarine
D04625 Isoetharine (USP)
R03C ADRENERGICS FOR SYSTEMIC USE
R03CC Selective beta-2-adrenoreceptor agonists
R03CC06 Isoetarine
D04625 Isoetharine (USP)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01234 Isoetharine
D04625 Isoetharine
DG01951 Catecholamine adrenergic receptor agonist
DG01234 Isoetharine
D04625 Isoetharine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D04625 Isoetharine (USP)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01234 Isoetharine
DG01951 Catecholamine adrenergic receptor agonist
DG01234 Isoetharine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 17
1 C8y C 13.3000 -20.0900
2 C8y C 13.3000 -21.4900
3 C8x C 14.5124 -22.1900
4 C8x C 15.7249 -21.4900
5 C8y C 15.7249 -20.0900
6 C8x C 14.5124 -19.3900
7 C1c C 16.9560 -19.3790
8 C1c C 18.1612 -20.0747
9 O1a O 16.9557 -17.9901
10 N1b N 19.3435 -19.3919
11 O1a O 12.0876 -22.1900
12 O1a O 12.0876 -19.3900
13 C1c C 20.5375 -20.0812
14 C1a C 21.7254 -19.3952
15 C1a C 20.5377 -21.4897
16 C1b C 18.1616 -21.4896
17 C1a C 19.3505 -22.1759
BOND 17
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 7 9 1
10 8 10 1
11 2 11 1
12 1 12 1
13 10 13 1
14 13 14 1
15 13 15 1
16 8 16 1
17 16 17 1
|
|---|
