| Entry |
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| Name |
Penbutolol sulfate (JP16/USP);
Levatol (TN)
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| Product |
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| Formula |
(C18H29NO2)2. H2SO4
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| Exact mass |
680.407
|
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| Mol weight |
680.9352
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| Structure |
     |
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| Activity |
Anti-adrenergic [beta-receptor]
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| Remark |
|
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| Target |
beta1-adrenergic receptor antagonist [HSA: 153] [KO: K04141]; beta2-adrenergic receptor antagonist [HSA: 154] [KO: K04142]; beta3-adrenergic receptor antagonist [HSA: 155] [KO: K04143] |
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| Pathway |
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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 (JP16/USP)
USP drug classification [BR:br08302]
Cardiovascular Agents
Beta-adrenergic Blocking Agents
Penbutolol
D00602 Penbutolol sulfate (JP16/USP)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta1-adrenergic receptor [HSA:153] [KO:K04141]
Penbutolol [ATC:C07AA23]
D00602 Penbutolol sulfate (JP16/USP)
beta2-adrenergic receptor [HSA:154] [KO:K04142]
Penbutolol [ATC:C07AA23]
D00602 Penbutolol sulfate (JP16/USP)
beta3-adrenergic receptor [HSA:155] [KO:K04143]
Penbutolol [ATC:C07AA23]
D00602 Penbutolol sulfate (JP16/USP)
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| Other DBs |
CAS: 38363-32-5 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 47
1 C8y C 26.0373 -16.5533
2 C8y C 26.0373 -17.9799
3 C1y C 27.2709 -15.8460
4 C8x C 24.8155 -15.8460
5 O2a O 27.2709 -18.6872
6 C8x C 24.8155 -18.6872
7 C1x C 28.6256 -16.2947
8 C1x C 27.2726 -14.4382
9 C8x C 23.5819 -16.5533
10 C1b C 28.5045 -17.9799
11 C8x C 23.5819 -17.9799
12 C1x C 29.4635 -15.1486
13 C1x C 28.6252 -13.9963
14 C1c C 29.7262 -18.6814
15 C1b C 30.9598 -17.9739
16 O1a O 29.7262 -20.1020
17 N1b N 32.1933 -18.6814
18 C1d C 33.4152 -17.9739
19 C1a C 34.5728 -17.4127
20 C1a C 32.9242 -16.9158
21 C1a C 34.0057 -19.2192
22 S4a S 39.6892 -17.2313
23 O1d O 38.2920 -17.2256
24 O1d O 41.0923 -17.2313
25 O1d O 39.6832 -15.8341
26 O1d O 39.6832 -18.6287
27 C8y C 26.0373 -16.5533
28 C8y C 26.0373 -17.9799
29 O2a O 27.2709 -18.6872
30 C1b C 28.5045 -17.9799
31 C1c C 29.7262 -18.6814
32 C1b C 30.9598 -17.9739
33 N1b N 32.1933 -18.6814
34 C1d C 33.4152 -17.9739
35 C1a C 34.5728 -17.4127
36 C1a C 32.9242 -16.9158
37 C1a C 34.0057 -19.2192
38 O1a O 29.7262 -20.1020
39 C8x C 24.8155 -18.6872
40 C8x C 23.5819 -17.9799
41 C8x C 23.5819 -16.5533
42 C8x C 24.8155 -15.8460
43 C1y C 27.2709 -15.8460
44 C1x C 28.6256 -16.2947
45 C1x C 29.4635 -15.1486
46 C1x C 28.6252 -13.9963
47 C1x C 27.2726 -14.4382
BOND 48
1 22 23 1
2 22 24 1
3 22 25 2
4 22 26 2
5 1 2 1
6 1 3 1
7 1 4 2
8 2 5 1
9 2 6 2
10 3 7 1
11 3 8 1
12 4 9 1
13 5 10 1
14 6 11 1
15 7 12 1
16 8 13 1
17 10 14 1
18 14 15 1
19 14 16 1 #Up
20 15 17 1
21 17 18 1
22 18 19 1
23 18 20 1
24 18 21 1
25 9 11 2
26 12 13 1
27 27 28 1
28 27 43 1
29 27 42 2
30 28 29 1
31 28 39 2
32 43 44 1
33 43 47 1
34 42 41 1
35 29 30 1
36 39 40 1
37 44 45 1
38 47 46 1
39 30 31 1
40 31 32 1
41 31 38 1 #Up
42 32 33 1
43 33 34 1
44 34 35 1
45 34 36 1
46 34 37 1
47 41 40 2
48 45 46 1
BRACKET 1 23.4500 -21.0000 23.4500 -13.3000
1 35.9100 -13.3000 35.9100 -21.0000
1 2
ORIGINAL 1 1 2 5 10 14 15 17 18 19 20 21 16 6 11 9 4
1 3 7 12 13 8
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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