| Entry |
|
|---|
| Name |
Butopamine (USAN/INN) |
|---|
| Formula |
C18H23NO3
|
|---|
| Exact mass |
301.1678
|
|---|
| Mol weight |
301.3801
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01703 Cardiotonic
DG01699 Catecholamine cardiotonic
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01451 beta1-Adrenergic receptor agonist
|
|---|
| Efficacy |
Cardiotonic, beta1-Adrenergic receptor agonist |
|---|
| Comment |
Dopamine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01699 Catecholamine cardiotonic
D03195 Butopamine
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01451 beta1-Adrenergic receptor agonist
D03195 Butopamine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB1
D03195 Butopamine (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 22
1 C8y C 16.7300 -17.0100
2 C8x C 15.5400 -16.3800
3 C8x C 16.7300 -18.4100
4 C1c C 17.9900 -16.3100
5 C8x C 14.3500 -17.0800
6 C8x C 15.5400 -19.1800
7 C1b C 19.1800 -17.0100
8 C8y C 14.3500 -18.4800
9 N1b N 20.3700 -16.3800
10 O1a O 13.0900 -19.1800
11 C1c C 21.6300 -17.0800
12 C1b C 22.8200 -16.3800
13 C1b C 24.0100 -17.0800
14 C8y C 25.2700 -16.3800
15 C8x C 26.4600 -17.0800
16 C8x C 25.2700 -14.9800
17 C8x C 27.6500 -16.3800
18 C8x C 26.4600 -14.2800
19 C8y C 27.6500 -14.9800
20 O1a O 28.9100 -14.2800
21 C1a C 21.6300 -18.4100
22 O1a O 17.9900 -14.9100
BOND 23
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 2
8 7 9 1
9 8 10 1
10 9 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 2
15 14 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 6 8 1
21 18 19 1
22 11 21 1 #Up
23 4 22 1 #Up
|
|---|
