| Entry |
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| Name |
Dobutamine (USP/INN)
|
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| Formula |
C18H23NO3
|
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| Exact mass |
301.1678
|
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| Mol weight |
301.3801
|
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| Structure |
     |
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| Activity |
Cardiotonic
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| Remark |
|
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| Comment |
Catecholamine
Dopamine derivative
|
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| Target |
beta1-adrenergic receptor agonist [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
C01 CARDIAC THERAPY
C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
C01CA Adrenergic and dopaminergic agents
C01CA07 Dobutamine
D03879 Dobutamine (USP/INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
beta1-adrenergic receptor [HSA:153] [KO:K04141]
Dobutamine [ATC:C01CA07]
D03879 Dobutamine (USP/INN)
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| Other DBs |
CAS: 34368-04-2 PubChem: DrugBank: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 22
1 C8y C 38.2826 -18.9694
2 C8x C 39.4995 -18.2765
3 C8x C 38.2769 -20.3727
4 C1b C 37.0716 -18.2706
5 C8y C 40.7107 -18.9810
6 C8x C 39.4878 -21.0772
7 C1b C 35.8546 -18.9694
8 C8y C 40.7748 -20.3785
9 O1a O 41.9276 -18.2882
10 N1b N 34.6436 -18.2765
11 O1a O 41.9860 -21.0829
12 C1c C 33.4383 -18.9753
13 C1b C 32.2214 -18.2765
14 C1a C 33.4383 -20.3727
15 C1b C 31.0102 -18.9753
16 C8y C 29.7934 -18.2765
17 C8x C 28.5881 -18.9753
18 C8x C 29.7934 -16.8791
19 C8x C 27.3712 -18.2765
20 C8x C 28.5881 -16.1745
21 C8y C 27.3712 -16.8791
22 O1a O 26.1542 -16.1745
BOND 23
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 2
8 5 9 1
9 7 10 1
10 8 11 1
11 10 12 1
12 12 13 1
13 12 14 1
14 13 15 1
15 15 16 1
16 16 17 2
17 16 18 1
18 17 19 1
19 18 20 2
20 19 21 2
21 21 22 1
22 6 8 1
23 20 21 1
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