KEGG   DRUG: Dobutamine hydrochloride
Entry
D00632                      Drug                                   

Name
Dobutamine hydrochloride (JP17/USP);
Dobutrex (TN)
Product
  Generic
Formula
C18H23NO3. HCl
Exact mass
337.1445
Mol weight
337.8411
Structure
Simcomp
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01699  Catecholamine cardiotonic
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01451  beta1-Adrenergic receptor agonist
 DG01951  Catecholamine adrenergic receptor agonist
Remark
Therapeutic category: 2119 7990
ATC code: C01CA07
Chemical structure group: DG00216
Product (DG00216): D00632<JP/US>
Efficacy
Cardiotonic, beta1-Adrenergic receptor agonist
Comment
Catecholamine derivative
Target
ADRB1 [HSA:153] [KO:K04141]
  Pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
Interaction
Structure map
map07214  beta-Adrenergic receptor agonists/antagonists
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
      D00632  Dobutamine hydrochloride (JP17/USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2119  Others
     D00632  Dobutamine hydrochloride (JP17/USP)
 7  Agents not mainly for therapeutic purpose
  79  Other agents not mainly for therapeutic purpose
   799  Miscellaneous
    7990  Miscellaneous
     D00632  Dobutamine hydrochloride (JP17/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D00632  Dobutamine hydrochloride (JP17/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00632  Dobutamine hydrochloride
Other DBs
CAS: 49745-95-1
PubChem: 7847698
ChEBI: 4671
ChEMBL: CHEMBL1200418
DrugBank: DB00841
LigandBox: D00632
NIKKAJI: J550.742A
LinkDB
KCF data

ATOM        23
            1   C8y C    14.3500  -16.3800
            2   C8x C    13.1600  -15.6800
            3   C8x C    14.3500  -17.7800
            4   C1b C    15.6100  -15.6800
            5   C8y C    11.9700  -16.3800
            6   C8x C    13.1600  -18.4800
            7   C1b C    16.8000  -16.3800
            8   C8y C    11.9700  -17.7800
            9   O1a O    10.7100  -15.6800
            10  N1b N    18.0600  -15.6800
            11  O1a O    10.7800  -18.4800
            12  C1c C    19.2500  -16.3800
            13  C1b C    20.4400  -15.6800
            14  C1a C    19.2500  -17.7800
            15  C1b C    21.7000  -16.3800
            16  C8y C    22.8900  -15.6800
            17  C8x C    24.0800  -16.3800
            18  C8x C    22.8900  -14.2800
            19  C8x C    25.3400  -15.6800
            20  C8x C    24.0800  -13.5800
            21  C8y C    25.3400  -14.2800
            22  O1a O    26.5300  -13.5800
            23  X   Cl   26.0400  -18.4800
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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