| | COMPOUND: C07416 | |
Entry |
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Name |
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Formula |
C18H29NO2
|
Exact mass |
291.2198
|
Mol weight |
291.4284
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Structure |
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Remark |
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Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C07 BETA BLOCKING AGENTS
C07A BETA BLOCKING AGENTS
C07AA Beta blocking agents, non-selective
C07AA23 Penbutolol
D08074 Penbutolol (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00312 Penbutolol
D08074 Penbutolol
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
DG00312 Penbutolol
D08074 Penbutolol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D08074 Penbutolol (INN)
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Other DBs |
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KCF data |
ATOM 21
1 C8y C 23.3397 -17.8269
2 C8y C 23.3397 -19.2949
3 C1y C 24.5980 -17.1279
4 C8x C 22.1514 -17.1279
5 O2a O 24.5980 -19.9939
6 C8x C 22.1514 -19.9939
7 C1x C 25.9261 -17.6172
8 C1x C 24.5980 -15.7298
9 C8x C 20.8931 -17.8269
10 C1b C 25.7863 -19.2949
11 C8x C 20.8931 -19.2949
12 C1x C 26.7650 -16.4288
13 C1x C 25.9261 -15.3104
14 C1c C 27.0446 -19.9939
15 C1b C 28.2329 -19.2949
16 O1a O 27.0446 -21.3920
17 N1b N 29.4912 -19.9939
18 C1d C 30.6795 -19.2949
19 C1a C 31.8679 -18.6656
20 C1a C 30.1902 -18.2463
21 C1a C 31.3087 -20.5531
BOND 22
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 10 14 1
14 14 15 1
15 14 16 1 #Down
16 15 17 1
17 17 18 1
18 18 19 1
19 18 20 1
20 18 21 1
21 9 11 2
22 12 13 1
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