| Entry |
|
|---|
| Name |
Penbutolol sulfate (JP18/USP);
Levatol (TN) |
|---|
| Formula |
(C18H29NO2)2. H2SO4
|
|---|
| Exact mass |
680.4070
|
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| Mol weight |
680.94
|
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| Structure |
|
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| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
|
|---|
| Remark |
|
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| Efficacy |
Antihypertensive, beta-Adrenergic receptor antagonist |
|---|
| Comment |
Propranolol derivative
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
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| Interaction |
|
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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
D00602 Penbutolol sulfate (JP18/USP)
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00312 Penbutolol
D00602 Penbutolol sulfate
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
DG00312 Penbutolol
D00602 Penbutolol sulfate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D00602 Penbutolol sulfate (JP18/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D00602 Penbutolol sulfate
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG00312 Penbutolol
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
DG00312 Penbutolol
|
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| Other DBs |
|
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| KCF data |
ATOM 47
1 S4a S 27.2992 -16.0413
2 O1d O 25.9020 -16.0356
3 O1d O 28.7023 -16.0413
4 O1d O 27.2932 -14.6441
5 O1d O 27.2932 -17.4387
6 C1b C 17.5700 -14.9100
7 N1b N 18.7824 -15.6100
8 C1d C 19.9779 -14.9196
9 C1a C 21.1653 -15.6051
10 C1a C 19.9780 -13.5103
11 C1a C 21.1904 -14.2196
12 C1c C 16.3576 -15.6100
13 C1b C 15.1621 -14.9196
14 O1a O 16.3575 -17.0098
15 O2a O 13.9747 -15.6051
16 C8y C 13.9747 -17.0051
17 C8y C 12.7793 -17.6955
18 C8x C 12.7796 -19.0955
19 C8x C 13.9921 -19.7953
20 C8x C 15.1875 -19.1049
21 C8x C 15.1873 -17.7049
22 C1y C 11.5961 -17.0126
23 C1x C 11.6347 -15.6101
24 C1x C 10.3158 -15.1409
25 C1x C 9.4620 -16.2502
26 C1x C 10.2532 -17.4050
27 C1b C 17.5700 -14.9100
28 N1b N 18.7824 -15.6100
29 C1d C 19.9779 -14.9196
30 C1a C 21.1653 -15.6051
31 C1a C 19.9780 -13.5103
32 C1a C 21.1904 -14.2196
33 C1c C 16.3576 -15.6100
34 C1b C 15.1621 -14.9196
35 O2a O 13.9747 -15.6051
36 C8y C 13.9747 -17.0051
37 C8y C 12.7793 -17.6955
38 C8x C 12.7796 -19.0955
39 C8x C 13.9921 -19.7953
40 C8x C 15.1875 -19.1049
41 C8x C 15.1873 -17.7049
42 C1y C 11.5961 -17.0126
43 C1x C 11.6347 -15.6101
44 C1x C 10.3158 -15.1409
45 C1x C 9.4620 -16.2502
46 C1x C 10.2532 -17.4050
47 O1a O 16.3575 -17.0098
BOND 48
1 1 2 1
2 1 3 1
3 1 4 2
4 1 5 2
5 6 7 1
6 7 8 1
7 8 9 1
8 8 10 1
9 8 11 1
10 6 12 1
11 12 13 1
12 12 14 1 #Down
13 13 15 1
14 15 16 1
15 16 17 2
16 17 18 1
17 18 19 2
18 19 20 1
19 20 21 2
20 16 21 1
21 17 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 22 26 1
27 27 28 1
28 28 29 1
29 29 30 1
30 29 31 1
31 29 32 1
32 27 33 1
33 33 34 1
34 33 47 1 #Down
35 34 35 1
36 35 36 1
37 36 37 2
38 37 38 1
39 38 39 2
40 39 40 1
41 40 41 2
42 36 41 1
43 37 42 1
44 42 43 1
45 43 44 1
46 44 45 1
47 45 46 1
48 42 46 1
BRACKET 1 8.9600 -20.3000 8.9600 -12.1100
1 23.3100 -12.1100 23.3100 -20.3000
1 2
ORIGINAL 1 6 7 8 9 10 11 12 13 15 16 17 18 19 20 21 22
1 23 24 25 26 14
REPEAT 1 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42
1 43 44 45 46 47
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