| Entry |
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| Name |
Metoprolol fumarate (USP);
Lopressor (TN)
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| Formula |
(C15H25NO3)2. C4H4O4
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| Exact mass |
650.3778
|
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| Mol weight |
650.8
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| Structure |
     |
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| Activity |
Antihypertensive
|
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| Remark |
|
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| Target |
beta1-adrenergic receptor antagonist [HSA: 153] [KO: K04141] |
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| Pathway |
|
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| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
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| Interaction |
Genomic biomarker: CYP2D6 [HSA: 1565]
 |
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| Structure map |
| Antiarrhythmic drugs | | Antimigraines | | beta-Adrenergic receptor agonists/antagonists |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C07 BETA BLOCKING AGENTS
C07A BETA BLOCKING AGENTS
C07AB Beta blocking agents, selective
C07AB02 Metoprolol
D05011 Metoprolol fumarate (USP)
USP drug classification [BR:br08302]
Cardiovascular Agents
Beta-adrenergic Blocking Agents
Metoprolol
D05011 Metoprolol fumarate (USP)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta1-adrenergic receptor [HSA:153] [KO:K04141]
Metoprolol [ATC:C07AB02]
D05011 Metoprolol fumarate (USP)
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| Other DBs |
CAS: 119637-66-0 PubChem: DrugBank: LigandBox: |
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| KCF data |
ATOM 46
1 C6a C 27.7675 -21.4192
2 C2b C 28.9786 -22.1212
3 O6a O 26.5565 -22.1212
4 O6a O 27.7675 -20.0211
5 C2b C 30.1953 -21.4192
6 C6a C 31.4063 -22.1212
7 O6a O 32.6173 -21.4192
8 O6a O 31.4063 -23.5193
9 C8y C 23.0300 -16.3800
10 C8x C 21.8400 -17.0800
11 C8x C 23.0300 -14.9800
12 O2a O 24.2200 -17.0800
13 C8x C 20.5800 -16.3800
14 C8x C 21.8400 -14.2800
15 C1b C 25.4800 -16.3800
16 C8y C 20.5800 -14.9800
17 C1c C 26.6700 -17.0800
18 C1b C 19.3900 -14.2800
19 C1b C 27.8600 -16.3800
20 O1a O 26.6700 -18.4800
21 C1b C 18.2000 -14.9800
22 N1b N 29.1200 -17.0800
23 O2a O 16.9400 -14.2800
24 C1c C 30.3100 -16.3800
25 C1a C 15.6800 -15.0500
26 C1a C 31.5000 -17.0800
27 C1a C 30.3100 -15.0500
28 C8y C 23.0300 -16.3800
29 C8x C 21.8400 -17.0800
30 C8x C 20.5800 -16.3800
31 C8y C 20.5800 -14.9800
32 C1b C 19.3900 -14.2800
33 C1b C 18.2000 -14.9800
34 O2a O 16.9400 -14.2800
35 C1a C 15.6800 -15.0500
36 C8x C 21.8400 -14.2800
37 C8x C 23.0300 -14.9800
38 O2a O 24.2200 -17.0800
39 C1b C 25.4800 -16.3800
40 C1c C 26.6700 -17.0800
41 C1b C 27.8600 -16.3800
42 N1b N 29.1200 -17.0800
43 C1c C 30.3100 -16.3800
44 C1a C 31.5000 -17.0800
45 C1a C 30.3100 -15.0500
46 O1a O 26.6700 -18.4800
BOND 45
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 5 6 1
6 6 7 1
7 6 8 2
8 9 10 2
9 9 11 1
10 9 12 1
11 10 13 1
12 11 14 2
13 12 15 1
14 13 16 2
15 15 17 1
16 16 18 1
17 17 19 1
18 17 20 1
19 18 21 1
20 19 22 1
21 21 23 1
22 22 24 1
23 23 25 1
24 24 26 1
25 24 27 1
26 14 16 1
27 28 29 2
28 28 37 1
29 28 38 1
30 29 30 1
31 37 36 2
32 38 39 1
33 30 31 2
34 39 40 1
35 31 32 1
36 40 41 1
37 40 46 1
38 32 33 1
39 41 42 1
40 33 34 1
41 42 43 1
42 34 35 1
43 43 44 1
44 43 45 1
45 36 31 1
BRACKET 1 13.7200 -19.1800 13.7200 -13.3000
1 33.1100 -13.3000 33.1100 -19.1800
1 2
ORIGINAL 1 9 10 13 16 18 21 23 25 14 11 12 15 17 19 22 24
1 26 27 20
REPEAT 1 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43
1 44 45 46
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