| Entry |
|
|---|
| Name |
Hexoprenaline sulfate (USAN);
Delaprem (TN) |
|---|
| Formula |
C22H32N2O6. H2SO4
|
|---|
| Exact mass |
518.1934
|
|---|
| Mol weight |
518.5778
|
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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
|
|---|
| Remark |
|
|---|
| Efficacy |
Bronchodilator, Tocolytic, beta2-Adrenergic receptor agonist |
|---|
| Comment |
Phenethylamine 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
R03AC06 Hexoprenaline
D02396 Hexoprenaline sulfate (USAN)
R03C ADRENERGICS FOR SYSTEMIC USE
R03CC Selective beta-2-adrenoreceptor agonists
R03CC05 Hexoprenaline
D02396 Hexoprenaline sulfate (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01047 Hexoprenaline
D02396 Hexoprenaline sulfate
DG01951 Catecholamine adrenergic receptor agonist
DG01047 Hexoprenaline
D02396 Hexoprenaline sulfate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D02396 Hexoprenaline sulfate (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01047 Hexoprenaline
DG01951 Catecholamine adrenergic receptor agonist
DG01047 Hexoprenaline
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 35
1 C8y C 22.2069 -15.3036
2 C1c C 23.4202 -16.0069
3 C8x C 22.2069 -13.9028
4 C8x C 20.9997 -16.0069
5 C1b C 24.6394 -15.3036
6 O1a O 23.4261 -17.4018
7 C8y C 20.9997 -13.1995
8 C8x C 19.7805 -15.3036
9 N1b N 25.8525 -16.0012
10 C8y C 19.7805 -13.9028
11 O1a O 21.0288 -11.7930
12 C1b C 27.0715 -15.2978
13 O1a O 18.6200 -13.1995
14 C1b C 28.2848 -16.0012
15 C1b C 29.4913 -15.2985
16 C1b C 30.7024 -15.9996
17 C1b C 31.9133 -15.2985
18 C1b C 33.1244 -15.9996
19 N1b N 34.3396 -15.3000
20 C1b C 35.5530 -16.0025
21 C1c C 36.7682 -15.3029
22 C8y C 38.0285 -16.0054
23 O1a O 36.7699 -13.9006
24 C8x C 38.0198 -17.4013
25 C8y C 39.1867 -18.1037
26 C8y C 40.4019 -17.4042
27 C8x C 40.4034 -16.0020
28 C8x C 39.1901 -15.2993
29 O1a O 39.1849 -19.5060
30 O1a O 41.6153 -18.1066
31 S4a S 20.2744 -18.6383
32 O1d O 18.8664 -18.6383
33 O1d O 21.6822 -18.6383
34 O1d O 20.2686 -17.2245
35 O1d O 20.2686 -20.0461
BOND 35
1 16 17 1
2 1 3 1
3 17 18 1
4 1 4 2
5 18 19 1
6 2 5 1
7 19 20 1
8 2 6 1
9 20 21 1
10 3 7 2
11 21 22 1
12 4 8 1
13 21 23 1
14 5 9 1
15 7 10 1
16 7 11 1
17 9 12 1
18 10 13 1
19 22 24 2
20 24 25 1
21 25 26 2
22 26 27 1
23 27 28 2
24 28 22 1
25 12 14 1
26 25 29 1
27 8 10 2
28 26 30 1
29 14 15 1
30 15 16 1
31 1 2 1
32 31 32 1
33 31 33 1
34 31 34 2
35 31 35 2
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