| Entry |
|
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| Name |
Salmeterol xinafoate (JAN/USAN);
Serevent (TN)
|
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| Product |
|
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| Formula |
C25H37NO4. C11H8O3
|
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| Exact mass |
603.3196
|
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| Mol weight |
603.745
|
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| Structure |
     |
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| Activity |
|
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| Remark |
Therapeutic category: ATC code: |
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| Comment |
long-acting beta-adrenoceptor agonist (LABA)
|
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| Target |
beta2-adrenergic receptor agonist [HSA: 154] [KO: K04142] |
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| Pathway |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
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| Interaction |
|
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| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
22 Respiratory organ agents
225 Bronchodilators
2259 Others
D00687 Salmeterol xinafoate (JAN/USAN)
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
R03AC12 Salmeterol
D00687 Salmeterol xinafoate (JAN/USAN)
USP drug classification [BR:br08302]
Respiratory Tract Agents
Bronchodilators, Sympathomimetic
Salmeterol
D00687 Salmeterol xinafoate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta2-adrenergic receptor [HSA:154] [KO:K04142]
Salmeterol [ATC:R03AC12]
D00687 Salmeterol xinafoate (JAN/USAN)
 |
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| Other DBs |
CAS: 94749-08-3 PubChem: DrugBank: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 44
1 C8y C 24.8790 -21.6118
2 C8y C 24.8790 -20.2054
3 C8x C 26.0997 -22.3186
4 C8x C 23.6511 -22.3186
5 C8y C 26.0997 -19.5128
6 C8x C 23.6581 -19.4915
7 C8x C 27.3063 -21.6118
8 C8x C 22.4231 -21.6118
9 C8y C 27.3063 -20.2054
10 O1a O 26.0997 -18.1207
11 C8x C 22.4301 -20.1911
12 C6a C 28.5057 -19.5128
13 O6a O 29.7121 -20.2054
14 O6a O 28.5057 -18.1207
15 C8y C 17.9252 -15.4863
16 C8x C 16.7188 -14.7868
17 C8x C 17.9252 -16.8857
18 C1c C 19.1318 -14.7868
19 C8y C 15.5052 -15.4863
20 C8x C 16.7188 -17.5996
21 C1b C 20.3384 -15.4793
22 O1a O 19.1248 -13.3874
23 C8y C 15.5052 -16.8857
24 C1b C 14.2915 -14.7868
25 N1b N 21.5521 -14.7795
26 O1a O 14.2915 -17.5996
27 O1a O 13.0778 -15.4863
28 C1b C 22.7515 -15.4721
29 C1b C 23.9722 -14.7725
30 C1b C 25.1858 -15.4650
31 C1b C 26.3852 -14.7725
32 C1b C 27.5991 -15.4650
33 C1b C 28.8055 -14.7652
34 O2a O 30.0121 -15.4507
35 C1b C 31.2185 -14.7509
36 C1b C 32.4394 -15.4435
37 C1b C 33.6530 -14.7439
38 C1b C 34.8597 -15.4365
39 C8y C 36.0661 -14.7367
40 C8x C 37.2727 -15.4292
41 C8x C 36.0590 -13.3375
42 C8x C 38.4934 -14.7296
43 C8x C 37.2654 -12.6307
44 C8x C 38.4863 -13.3303
BOND 46
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 2
9 5 10 1
10 6 11 2
11 9 12 1
12 12 13 1
13 12 14 2
14 7 9 1
15 8 11 1
16 15 16 2
17 15 17 1
18 15 18 1
19 16 19 1
20 17 20 2
21 18 21 1
22 18 22 1
23 19 23 2
24 19 24 1
25 21 25 1
26 23 26 1
27 24 27 1
28 25 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 34 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 39 40 2
41 39 41 1
42 40 42 1
43 41 43 2
44 42 44 2
45 20 23 1
46 43 44 1
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