| Entry |
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| Name |
Bufetolol hydrochloride (JP16);
Adobiol (TN)
|
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| Formula |
C18H29NO4. HCl
|
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| Exact mass |
359.1863
|
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| Mol weight |
359.8881
|
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| Structure |
     |
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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 |
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
212 Antiarrhythmic agents
2123 Beta blockers
D01504 Bufetolol hydrochloride (JP16)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta1-adrenergic receptor [HSA:153] [KO:K04141]
Bufetolol
D01504 Bufetolol hydrochloride (JP16)
beta2-adrenergic receptor [HSA:154] [KO:K04142]
Bufetolol
D01504 Bufetolol hydrochloride (JP16)
beta3-adrenergic receptor [HSA:155] [KO:K04143]
Bufetolol
D01504 Bufetolol hydrochloride (JP16)
 |
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| Other DBs |
CAS: 35108-88-4 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 24
1 C8y C 19.7695 -15.7602
2 C8y C 19.7695 -14.3282
3 C8x C 18.5430 -16.4704
4 O2a O 21.0079 -13.6181
5 C8x C 18.5430 -13.6181
6 C8x C 17.3046 -15.7602
7 C1b C 22.2462 -14.3282
8 C8x C 17.3046 -14.3282
9 C1c C 23.4728 -13.6241
10 C1b C 24.7111 -14.3341
11 O1a O 23.4728 -12.1978
12 N1b N 25.9492 -13.6241
13 C1d C 27.1758 -14.3341
14 C1a C 28.3379 -14.8974
15 C1a C 26.6829 -15.3963
16 C1a C 27.7686 -13.0840
17 O2a O 20.9859 -16.4613
18 C1b C 22.2014 -15.7586
19 C1y C 23.4180 -16.4598
20 O2x O 23.4180 -17.8598
21 C1x C 24.7495 -18.2924
22 C1x C 25.5724 -17.1598
23 C1x C 24.7495 -16.0272
24 X Cl 28.0767 -17.2793
BOND 24
1 5 8 1
2 7 9 1
3 9 10 1
4 9 11 1
5 10 12 1
6 12 13 1
7 13 14 1
8 13 15 1
9 13 16 1
10 6 8 2
11 1 17 1
12 17 18 1
13 1 2 1
14 18 19 1
15 1 3 2
16 2 4 1
17 2 5 2
18 3 6 1
19 4 7 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 19 23 1
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