| Entry |
|
|---|
| Name |
Isoxsuprine lactate;
Duphaspasmin [veterinary] (TN) |
|---|
| Formula |
C18H23NO3. C3H6O3
|
|---|
| Exact mass |
391.1995
|
|---|
| Mol weight |
391.46
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
|
|---|
| Remark |
| Product (DG00277): | D01748<JP> |
|
|---|
| Efficacy |
Vasodilator (peripheral), beta2-Adrenergic receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AA 2-amino-1-phenylethanol derivatives
C04AA01 Isoxsuprine
D08093 Isoxsuprine lactate
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG00277 Isoxsuprine
D08093 Isoxsuprine lactate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D08093 Isoxsuprine lactate
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG00277 Isoxsuprine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8y C 18.9000 -17.3600
2 C1c C 20.1600 -18.0600
3 C1c C 21.3500 -17.3600
4 N1b N 22.5400 -18.0600
5 C1c C 23.8000 -17.3600
6 C1b C 24.9900 -18.0600
7 O2a O 26.1800 -17.3600
8 C1a C 21.3500 -15.9600
9 C1a C 23.8000 -15.9600
10 C8y C 27.4400 -18.0600
11 C8x C 27.4400 -19.4600
12 C8x C 28.6300 -20.1600
13 C8x C 29.8200 -19.4600
14 C8x C 29.8200 -18.0600
15 C8x C 28.6300 -17.3600
16 O1a O 20.1600 -19.4600
17 C8x C 18.9000 -16.0300
18 C8x C 17.7100 -15.3300
19 C8y C 16.5200 -16.0300
20 C8x C 16.5200 -17.4300
21 C8x C 17.7100 -18.1300
22 O1a O 15.2600 -15.3300
23 C1c C 33.6700 -18.2000
24 C6a C 34.9300 -17.5000
25 C1a C 32.4800 -17.5000
26 O6a O 36.1200 -18.2000
27 O1a O 33.6700 -19.6000
28 O6a O 34.9300 -16.1000
BOND 28
1 5 6 1
2 2 3 1
3 6 7 1
4 10 11 2
5 11 12 1
6 12 13 2
7 13 14 1
8 14 15 2
9 15 10 1
10 2 16 1
11 3 8 1
12 3 4 1
13 5 9 1
14 1 2 1
15 7 10 1
16 1 17 2
17 17 18 1
18 18 19 2
19 19 20 1
20 20 21 2
21 21 1 1
22 4 5 1
23 19 22 1
24 23 24 1
25 23 25 1
26 24 26 1
27 23 27 1
28 24 28 2
|
|---|
