| Entry |
|
|---|
| Name |
Isoetharine hydrochloride (USP);
BETA-2 (TN)
|
|---|
| Formula |
C13H21NO3. HCl
|
|---|
| Exact mass |
275.1288
|
|---|
| Mol weight |
275.7717
|
|---|
| Structure |
     |
|---|
| Activity |
Bronchodilator
|
|---|
| Target |
beta2-adrenergic receptor agonist [HSA: 154] [KO: K04142] |
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta2-adrenergic receptor [HSA:154] [KO:K04142]
Isoetharine
D02093 Isoetharine hydrochloride (USP)
 |
|---|
| Other DBs |
CAS: 2576-92-3 PubChem: LigandBox: NIKKAJI: |
|---|
| KCF data |
ATOM 18
1 C8y C 21.9216 -17.4454
2 C1c C 23.1343 -18.1484
3 C8x C 21.9216 -16.0453
4 C8x C 20.7147 -18.1484
5 C1c C 24.3530 -17.4454
6 O1a O 23.0702 -19.5428
7 C8y C 20.7147 -15.3422
8 C8x C 19.4961 -17.4454
9 N1b N 25.5657 -18.1427
10 C1b C 24.3530 -16.0393
11 C8y C 19.4961 -16.0453
12 O1a O 20.7204 -13.9360
13 C1c C 26.7844 -17.4396
14 O1a O 18.2892 -15.3422
15 C1a C 27.9971 -18.1427
16 C1a C 26.7785 -16.0393
17 C1a C 25.5403 -15.3538
18 X Cl 30.8000 -15.8900
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 7 12 1
12 9 13 1
13 11 14 1
14 13 15 1
15 13 16 1
16 8 11 2
17 10 17 1
|
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