| Entry |
|
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| Name |
Reproterol (INN)
|
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| Formula |
C18H23N5O5
|
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| Exact mass |
389.1699
|
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| Mol weight |
389.4057
|
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| Structure |
     |
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| Activity |
Antiasthmatic;
beta2-Sympathomimetic;
Bronchodilator [DS: H00079]
|
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| Remark |
|
|---|
| Target |
beta2-adrenergic receptor agonist [HSA: 154] [KO: K04142] |
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| Pathway |
|
|---|
| 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
R03AC15 Reproterol
D08474 Reproterol (INN)
R03C ADRENERGICS FOR SYSTEMIC USE
R03CC Selective beta-2-adrenoreceptor agonists
R03CC14 Reproterol
D08474 Reproterol (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta2-adrenergic receptor [HSA:154] [KO:K04142]
Reproterol [ATC:R03AC15 R03CC14]
D08474 Reproterol (INN)
 |
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| Other DBs |
CAS: 54063-54-6 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 28
1 C8x C 18.7906 -19.2752
2 C8y C 18.7906 -17.8786
3 C8x C 20.0476 -17.1802
4 C8y C 21.3046 -17.8786
5 C8x C 21.3046 -19.2752
6 C8y C 20.0476 -19.9736
7 O1a O 20.0476 -21.3702
8 O1a O 17.6034 -17.1802
9 C1c C 22.4917 -17.1802
10 C1b C 23.6789 -17.8786
11 O1a O 22.4919 -15.7836
12 N1b N 24.8661 -17.1802
13 C1b C 26.0533 -17.8786
14 C1b C 27.2404 -17.1802
15 C1b C 28.4974 -17.8786
16 N4y N 29.6846 -17.1104
17 C8y C 30.9416 -17.6691
18 C8y C 31.9193 -16.6216
19 N5x N 31.1511 -15.4344
20 C8x C 29.8243 -15.7137
21 C8y C 31.4304 -18.9959
22 N4y N 32.7573 -19.2752
23 C8y C 33.7349 -18.2277
24 N4y N 33.2461 -16.9009
25 O5x O 30.5226 -20.0434
26 C1a C 33.2461 -20.6021
27 O5x O 35.0618 -18.5071
28 C1a C 34.2238 -15.8534
BOND 30
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 6 7 1
8 2 8 1
9 4 9 1
10 9 10 1
11 9 11 1
12 10 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 16 20 1
22 17 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 18 24 1
27 21 25 2
28 22 26 1
29 23 27 2
30 24 28 1
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