KEGG   COMPOUND: C07053
Entry
C07053                      Compound                               
Name
Isoetharine
Formula
C13H21NO3
Exact mass
239.1521
Mol weight
239.31
Structure
Remark
Same as: D04625
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
     R03AC07 Isoetarine
      D04625  Isoetharine (USP)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC06 Isoetarine
      D04625  Isoetharine (USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01234  Isoetharine
      D04625  Isoetharine
  DG01951  Catecholamine adrenergic receptor agonist
   DG01234  Isoetharine
    D04625  Isoetharine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D04625  Isoetharine (USP)
Other DBs
CAS: 530-08-5
PubChem: 9265
NIKKAJI: J6.696F
LinkDB
KCF data

ATOM        17
            1   C8y C    21.8898  -17.4201
            2   C1c C    23.1008  -18.1221
            3   C8x C    21.8898  -16.0220
            4   C8x C    20.6847  -18.1221
            5   C1c C    24.3177  -17.4201
            6   O1a O    23.1067  -19.5145
            7   C8y C    20.6847  -15.3199
            8   C8x C    19.4678  -17.4201
            9   N1b N    25.5287  -18.1164
            10  C1b C    24.3177  -16.0160
            11  C8y C    19.4678  -16.0220
            12  O1a O    20.6205  -13.9158
            13  C1c C    26.7455  -17.4143
            14  O1a O    18.2627  -15.3199
            15  C1a C    27.9565  -18.1164
            16  C1a C    26.7396  -16.0160
            17  C1a C    25.5033  -15.3315
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    7  12 1
            12    9  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 1
            16    8  11 2
            17   10  17 1

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