KEGG   COMPOUND: C07241
Entry
C07241                      Compound                               
Name
Salmeterol
Formula
C25H37NO4
Exact mass
415.2723
Mol weight
415.56
Structure
Remark
Same as: D05792
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
     R03AC12 Salmeterol
      D05792  Salmeterol (USAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01051  Salmeterol
      D05792  Salmeterol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01051  Salmeterol
     D05792  Salmeterol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D05792  Salmeterol (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05792
Other DBs
CAS: 89365-50-4
PubChem: 9450
NIKKAJI: J361.706H
LinkDB
KCF data

ATOM        30
            1   C8y C    17.9055  -17.8503
            2   C8x C    16.6978  -17.1497
            3   C8x C    17.9055  -19.2510
            4   C1c C    19.1135  -17.1497
            5   C8y C    15.4826  -17.8503
            6   C8x C    16.6978  -19.9586
            7   C1b C    20.3212  -17.8430
            8   O1a O    19.1062  -15.7490
            9   C8y C    15.4826  -19.2510
            10  C1b C    14.2676  -17.1497
            11  N1b N    21.5362  -17.1427
            12  O1a O    14.2676  -19.9586
            13  O1a O    13.0526  -17.8503
            14  C1b C    22.7441  -17.8360
            15  C1b C    23.9591  -17.1354
            16  C1b C    25.1741  -17.8287
            17  C1b C    26.3748  -17.1284
            18  C1b C    27.5898  -17.8217
            19  C1b C    28.7978  -17.1211
            20  O2a O    30.0128  -17.8144
            21  C1b C    31.2205  -17.1141
            22  C1b C    32.4357  -17.8074
            23  C1b C    33.6507  -17.1068
            24  C1b C    34.8584  -17.8001
            25  C8y C    36.0664  -17.0998
            26  C8x C    37.2814  -17.7931
            27  C8x C    36.0591  -15.6918
            28  C8x C    38.4964  -17.0925
            29  C8x C    37.2741  -14.9842
            30  C8x C    38.4891  -15.6846
BOND        31
            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     4   8 1
            8     5   9 2
            9     5  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 2
            26   25  27 1
            27   26  28 1
            28   27  29 2
            29   28  30 2
            30    6   9 1
            31   29  30 1

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