KEGG   DRUG: Albuterol
Entry
D02147                      Drug                                   
Name
Albuterol (USP);
Salbutamol;
Proventil (TN)
Formula
C13H21NO3
Exact mass
239.1521
Mol weight
239.3107
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Remark
ATC code: R03AC02 R03CC02
Chemical structure group: DG01045
Product (DG01045): D00683<JP/US>
Efficacy
Bronchodilator, beta2-Adrenergic receptor agonist
Comment
Phenethylamine derivative
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
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
     R03AC02 Salbutamol
      D02147  Albuterol (USP)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC02 Salbutamol
      D02147  Albuterol (USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01045  Albuterol
      D02147  Albuterol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D02147  Albuterol (USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01045  Albuterol
Other DBs
CAS: 18559-94-9
PubChem: 7849208
ChEBI: 2549
LigandBox: D02147
NIKKAJI: J10.899E
KCF data

ATOM        17
            1   C8y C    21.4900  -16.1700
            2   C8x C    20.3000  -16.8700
            3   C1c C    22.6800  -16.8700
            4   C8x C    21.4900  -14.7700
            5   C8y C    19.0400  -16.1700
            6   C1b C    23.9400  -16.1700
            7   O1a O    22.6800  -18.2700
            8   C8x C    20.3000  -14.0700
            9   C8y C    19.0400  -14.7700
            10  C1b C    17.8500  -16.8700
            11  N1b N    25.1300  -16.8700
            12  O1a O    17.8500  -14.0700
            13  O1a O    16.6600  -16.1700
            14  C1d C    26.3200  -16.1700
            15  C1a C    27.5800  -16.8700
            16  C1a C    26.3200  -14.7700
            17  C1a C    27.5324  -15.4700
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   14  15 1
            15   14  16 1
            16    8   9 2
            17   14  17 1

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