| Entry |
|
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| Name |
Esmolol (INN)
|
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| Formula |
C16H25NO4
|
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| Exact mass |
295.1784
|
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| Mol weight |
295.374
|
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| Structure |
     |
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| Activity |
beta1-Adrenergic blocking
|
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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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| Interaction |
|
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| Structure map |
| 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
C07AB09 Esmolol
D07916 Esmolol (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta1-adrenergic receptor [HSA:153] [KO:K04141]
Esmolol [ATC:C07AB09]
D07916 Esmolol (INN)
 |
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| Other DBs |
CAS: 103598-03-4 PubChem: DrugBank: LigandBox: |
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| KCF data |
ATOM 21
1 C8y C 24.1500 -18.5500
2 C8x C 22.9600 -19.3200
3 C8x C 24.1500 -17.2200
4 O2a O 25.4100 -19.2500
5 C8x C 21.7000 -18.6200
6 C8x C 22.9600 -16.5200
7 C1b C 26.6000 -18.5500
8 C8y C 21.7000 -17.2200
9 C1c C 27.7900 -19.2500
10 C1b C 20.5100 -16.5200
11 C1b C 29.0500 -18.5500
12 O1a O 27.8600 -20.6500
13 C1b C 19.3200 -17.2900
14 N1b N 30.2400 -19.1800
15 C7a C 18.0600 -16.5900
16 C1c C 31.4300 -18.4800
17 O7a O 16.8700 -17.2900
18 O6a O 18.0600 -15.1900
19 C1a C 32.6900 -19.1800
20 C1a C 31.4300 -17.0800
21 C1a C 15.6800 -16.6600
BOND 21
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 5 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 9 12 1
12 10 13 1
13 11 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 16 20 1
20 17 21 1
21 6 8 2
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