KEGG   DRUG: Arbutamine hydrochlorideHelp
Entry
D02976                      Drug                                   

Name
Arbutamine hydrochloride (USAN);
Genesa (TN)
Formula
C18H23NO4. HCl
Exact mass
353.1394
Mol weight
353.8405
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01699  Catecholamine cardiotonic
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01448  alpha1-Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01451  beta1-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
   DG01453  beta3-Adrenergic receptor agonist
 DG01951  Catecholamine adrenergic receptor agonist
Remark
ATC code: 
Activity
Cardiotonic, beta-Adrenergic receptor agonist
Comment
Catecholamine derivative
Target
ADRB1 [HSA:153] [KO:K04141];
ADRB2 [HSA:154] [KO:K04142];
ADRB3 [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretion
Interaction
Drug interaction
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
     C01CA22 Arbutamine
      D02976  Arbutamine hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Arbutamine
      D02976  Arbutamine hydrochloride (USAN)
    beta1-adrenergic receptor
     Arbutamine
      D02976  Arbutamine hydrochloride (USAN)
    beta2-adrenergic receptor
     Arbutamine
      D02976  Arbutamine hydrochloride (USAN)
    beta3-adrenergic receptor
     Arbutamine
      D02976  Arbutamine hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
125251-66-3
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        24
            1   C8x C    12.1800  -17.5700
            2   C8y C    12.1800  -16.1700
            3   C8x C    10.9900  -15.4700
            4   C8y C     9.7300  -16.1700
            5   C8y C     9.7300  -17.5700
            6   C8x C    10.9900  -18.2700
            7   O1a O     8.5400  -18.2700
            8   O1a O     8.5400  -15.4700
            9   C1c C    13.3700  -15.4700
            10  C1b C    14.6300  -16.1700
            11  N1b N    15.8900  -15.4700
            12  C1b C    17.0100  -16.1700
            13  C1b C    18.2700  -15.4700
            14  C1b C    19.4600  -16.1700
            15  C1b C    20.6500  -15.4700
            16  C8y C    21.9100  -16.1700
            17  C8x C    23.1000  -15.4700
            18  C8x C    24.2900  -16.1700
            19  O1a O    13.3700  -14.0700
            20  C8x C    21.9100  -17.5700
            21  C8x C    23.1000  -18.2700
            22  C8y C    24.2900  -17.5700
            23  O1a O    25.4800  -18.2700
            24  X   Cl   28.7000  -17.0800
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     2   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19    9  19 1 #Up
            20   16  20 2
            21   20  21 1
            22   21  22 2
            23   22  18 1
            24   22  23 1

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