KEGG   DRUG: Dobutamine
Entry
D03879                      Drug                                   

Name
Dobutamine (USAN/INN)
Formula
C18H23NO3
Exact mass
301.1678
Mol weight
301.3801
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
Same as: C06967
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
      D03879  Dobutamine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D03879  Dobutamine (USAN/INN)
Other DBs
CAS: 34368-04-2
PubChem: 17397963
ChEBI: 4670
ChEMBL: CHEMBL926
DrugBank: DB00841
LigandBox: D03879
NIKKAJI: J244.475E
LinkDB
KCF data

ATOM        22
            1   C8y C    14.4200  -16.4500
            2   C8x C    13.2300  -15.8200
            3   C8x C    14.4200  -17.8500
            4   C1b C    15.6100  -15.8200
            5   C8y C    12.0400  -16.5200
            6   C8x C    13.2300  -18.6200
            7   C1b C    16.8700  -16.4500
            8   C8y C    12.0400  -17.9200
            9   O1a O    10.7800  -15.8200
            10  N1b N    18.0600  -15.8200
            11  O1a O    10.7100  -18.6200
            12  C1c C    19.2500  -16.5200
            13  C1b C    20.5100  -15.8200
            14  C1a C    19.2500  -17.8500
            15  C1b C    21.7000  -16.5200
            16  C8y C    22.8900  -15.8200
            17  C8x C    24.0800  -16.5200
            18  C8x C    22.8900  -14.4200
            19  C8x C    25.3400  -15.8200
            20  C8x C    24.0800  -13.7200
            21  C8y C    25.3400  -14.4200
            22  O1a O    26.5300  -13.7200
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

» Japanese version   » Back

KEGG   DRUG: Dobutamine hydrochloride
Entry
D00632                      Drug                                   

Name
Dobutamine hydrochloride (JP18/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 (JP18/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 (JP18/USP)
 7  Agents not mainly for therapeutic purpose
  79  Other agents not mainly for therapeutic purpose
   799  Miscellaneous
    7990  Miscellaneous
     D00632  Dobutamine hydrochloride (JP18/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D00632  Dobutamine hydrochloride (JP18/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

» Japanese version   » Back

KEGG   DRUG: Dobutamine lactobionate
Entry
D03880                      Drug                                   

Name
Dobutamine lactobionate (USAN)
Formula
C12H22O12. C18H23NO3
Exact mass
659.2789
Mol weight
659.676
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
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
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion
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
      D03880  Dobutamine lactobionate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D03880  Dobutamine lactobionate (USAN)
Other DBs
CAS: 104564-71-8
PubChem: 17397964
ChEMBL: CHEMBL4297079
DrugBank: DB00841
LigandBox: D03880
NIKKAJI: J2.205.416C
LinkDB
KCF data

ATOM        46
            1   C8y C     7.8400  -16.0300
            2   C8x C     6.5800  -15.3300
            3   C8x C     7.8400  -17.4300
            4   C1b C     9.0300  -15.3300
            5   C8y C     5.3200  -16.0300
            6   C8x C     6.6500  -18.1300
            7   C1b C    10.2200  -16.0300
            8   C8y C     5.3200  -17.4300
            9   O1a O     4.2000  -15.3300
            10  N1b N    11.4800  -15.3300
            11  O1a O     4.1300  -18.1300
            12  C1c C    12.6700  -16.0300
            13  C1b C    13.8600  -15.3300
            14  C1a C    12.6700  -17.4300
            15  C1b C    15.0500  -16.0300
            16  C8y C    16.3100  -15.3300
            17  C8x C    17.5000  -16.0300
            18  C8x C    16.3100  -13.9300
            19  C8x C    18.6900  -15.3300
            20  C8x C    17.5000  -13.2300
            21  C8y C    18.6900  -13.9300
            22  O1a O    19.9500  -13.2300
            23  C1c C    28.3500  -14.4200
            24  C1c C    29.5400  -13.7900
            25  C1c C    27.1600  -13.7200
            26  C1b C    25.9000  -14.4200
            27  O1a O    24.7100  -13.7200
            28  O1a O    27.1600  -12.3200
            29  C1c C    30.7300  -14.4200
            30  C6a C    31.9900  -13.7200
            31  O6a O    33.1800  -14.4200
            32  O6a O    31.9900  -12.3200
            33  C1y C    27.1600  -16.5900
            34  O2x O    25.9700  -15.8900
            35  C1y C    27.1600  -17.9200
            36  C1y C    24.7800  -16.5900
            37  C1y C    25.9700  -18.6200
            38  O1a O    28.4200  -18.6200
            39  C1y C    24.7800  -17.9200
            40  C1b C    23.5200  -15.8900
            41  O1a O    25.9700  -20.0200
            42  O1a O    23.5200  -18.6200
            43  O1a O    22.3300  -16.5900
            44  O2a O    28.3500  -15.8900
            45  O1a O    29.5400  -12.3200
            46  O1a O    30.7300  -15.8900
BOND        47
            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
            24   23  24 1
            25   23  25 1
            26   25  26 1
            27   26  27 1
            28   25  28 1 #Up
            29   24  29 1
            30   29  30 1
            31   30  31 1
            32   30  32 2
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   35  37 1
            37   35  38 1 #Down
            38   36  39 1
            39   36  40 1 #Up
            40   37  41 1 #Up
            41   39  42 1 #Up
            42   40  43 1
            43   37  39 1
            44   33  44 1 #Up
            45   23  44 1 #Down
            46   24  45 1 #Down
            47   29  46 1 #Down

» Japanese version   » Back

KEGG   DRUG: Dobutamine tartrate
Entry
D03881                      Drug                                   

Name
Dobutamine tartrate (USAN)
Formula
C18H23NO3. C4H6O6
Exact mass
451.1842
Mol weight
451.467
Structure
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
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
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion
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
      D03881  Dobutamine tartrate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D03881  Dobutamine tartrate (USAN)
Other DBs
CAS: 101626-66-8
PubChem: 17397965
DrugBank: DB00841
LigandBox: D03881
NIKKAJI: J2.205.405H
LinkDB
KCF data

ATOM        32
            1   C8y C     8.4700  -11.1300
            2   C8x C     7.2800  -10.4300
            3   C8x C     8.4700  -12.5300
            4   C1b C     9.6600  -10.4300
            5   C8y C     6.0200  -11.1300
            6   C8x C     7.2800  -13.2300
            7   C1b C    10.9200  -11.1300
            8   C8y C     6.0200  -12.5300
            9   O1a O     4.8300  -10.4300
            10  N1b N    12.1100  -10.4300
            11  O1a O     4.8300  -13.2300
            12  C1c C    13.3000  -11.1300
            13  C1b C    14.5600  -10.4300
            14  C1a C    13.3000  -12.5300
            15  C1b C    15.7500  -11.1300
            16  C8y C    16.9400  -10.4300
            17  C8x C    18.2000  -11.1300
            18  C8x C    16.9400   -9.0300
            19  C8x C    19.3900  -10.4300
            20  C8x C    18.2000   -8.3300
            21  C8y C    19.3900   -9.0300
            22  O1a O    20.5800   -8.3300
            23  C1c C    24.0100  -11.2700
            24  C1c C    25.2000  -11.9700
            25  C6a C    22.7500  -11.9700
            26  O1a O    24.0100   -9.8700
            27  C6a C    26.3900  -11.2700
            28  O1a O    25.2000  -13.3700
            29  O6a O    21.5600  -11.2700
            30  O6a O    22.7500  -13.3700
            31  O6a O    27.5800  -11.9700
            32  O6a O    26.3900   -9.8700
BOND        32
            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
            24   23  24 1
            25   23  25 1
            26   23  26 1 #Up
            27   24  27 1
            28   24  28 1 #Up
            29   25  29 1
            30   25  30 2
            31   27  31 1
            32   27  32 2

» Japanese version   » Back

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