KEGG   DRUG: D05718Help
Entry
D05718                      Drug                                   

Name
Reproterol hydrochloride (USAN)
Formula
C18H23N5O5. HCl
Exact mass
425.1466
Mol weight
425.8667
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator [DS:H00079]
Remark
ATC code: 
Drug group: 
Target
beta2-adrenergic receptor agonist [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04144  Endocytosis
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03A ADRENERGICS, INHALANTS
    R03AC Selective beta-2-adrenoreceptor agonists
     R03AC15 Reproterol
      D05718  Reproterol hydrochloride (USAN)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC14 Reproterol
      D05718  Reproterol hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Reproterol
      D05718  Reproterol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
13055-82-8
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8x C     6.0900  -15.9600
            2   C8y C     6.0900  -17.3600
            3   C8x C     7.3500  -18.0600
            4   C8y C     8.6100  -17.3600
            5   C8x C     8.6100  -15.9600
            6   C8y C     7.3500  -15.2600
            7   O1a O     7.3500  -13.8600
            8   O1a O     4.9000  -18.0600
            9   C1c C     9.8000  -18.0600
            10  C1b C    10.9900  -17.3600
            11  O1a O     9.8000  -19.4600
            12  N1b N    12.1800  -18.0600
            13  C1b C    13.3700  -17.3600
            14  C1b C    14.5600  -18.0600
            15  C1b C    15.8200  -17.3600
            16  N4y N    17.0100  -18.1300
            17  C8y C    18.2700  -17.5700
            18  C8y C    19.2500  -18.6200
            19  N5x N    18.4800  -19.8100
            20  C8x C    17.1500  -19.5300
            21  C8y C    18.7600  -16.2400
            22  N4y N    20.0900  -15.9600
            23  C8y C    21.0700  -17.0100
            24  N4y N    20.5800  -18.3400
            25  O5x O    17.8500  -15.1900
            26  C1a C    20.5800  -14.6300
            27  O5x O    22.4000  -16.7300
            28  C1a C    21.5600  -19.3900
            29  X   Cl   13.2300  -13.7200
BOND        30
            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     6   7 1
            8     2   8 1
            9     4   9 1
            10    9  10 1
            11    9  11 1
            12   10  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   18  19 1
            20   19  20 2
            21   16  20 1
            22   17  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   18  24 1
            27   21  25 2
            28   22  26 1
            29   23  27 2
            30   24  28 1

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