| Entry |
|
|---|
| Name |
Trimetoquinol hydrochloride hydrate (JP18);
Tretoquinol hydrate;
Caluyon (TN) |
|---|
| Formula |
C19H23NO5. HCl. H2O
|
|---|
| Exact mass |
399.1449
|
|---|
| Mol weight |
399.8658
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
|
|---|
| Remark |
| Therapeutic category: | 2259 |
| Product (DG01049): | D05037<JP> |
|
|---|
| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
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| 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
R03AC09 Tretoquinol
D05037 Trimetoquinol hydrochloride hydrate (JP18) <JP>
R03C ADRENERGICS FOR SYSTEMIC USE
R03CC Selective beta-2-adrenoreceptor agonists
R03CC09 Tretoquinol
D05037 Trimetoquinol hydrochloride hydrate (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
22 Respiratory organ agents
225 Bronchodilators
2259 Others
D05037 Trimetoquinol hydrochloride hydrate (JP18)
Classification of Japanese OTC drugs [BR:br08313]
Agents for respiratory organs
26 Antitussives and expectorants
D05037 Trimetoquinol hydrochloride hydrate (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
Second-class OTC drugs
Inorganic and organic chemicals
Trimetoquinol
D05037 Trimetoquinol hydrochloride hydrate (JP18)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01049 Tretoquinol
D05037 Trimetoquinol hydrochloride hydrate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D05037 Trimetoquinol hydrochloride hydrate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D05037 Trimetoquinol hydrochloride hydrate
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01049 Tretoquinol
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C8y C 35.5823 -28.1542
2 C8y C 35.5823 -29.5500
3 C8x C 36.7688 -30.2479
4 C8y C 37.9552 -29.5500
5 C8y C 37.9552 -28.1542
6 C8x C 36.7688 -27.4563
7 C1x C 39.1416 -30.2479
8 C1x C 40.3979 -29.5500
9 N1x N 40.3979 -28.1542
10 C1y C 39.1416 -27.4563
11 O1a O 34.3261 -27.4563
12 O1a O 34.3261 -30.2479
13 C1b C 39.1416 -26.0605
14 C8y C 40.3979 -25.3626
15 C8x C 41.5843 -26.0605
16 C8y C 42.7707 -25.3626
17 C8y C 42.7707 -23.9668
18 C8y C 41.5843 -23.2689
19 C8x C 40.3979 -23.9668
20 O2a O 44.0269 -26.0605
21 O2a O 41.5843 -21.8731
22 O2a O 44.0269 -23.2689
23 C1a C 42.8405 -21.1751
24 C1a C 45.2134 -23.9668
25 C1a C 44.0269 -27.4563
26 X Cl 48.4935 -26.8281
27 O0 O 48.9820 -28.7125
BOND 27
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 1 11 1
13 2 12 1
14 10 13 1 #Down
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 16 20 1
23 18 21 1
24 17 22 1
25 21 23 1
26 22 24 1
27 20 25 1
|
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