KEGG   COMPOUND: C07241
Entry
C07241                      Compound                               
Name
Salmeterol
Formula
C25H37NO4
Exact mass
415.2723
Mol weight
415.5656
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
ChEBI: 64064 9011
NIKKAJI: J361.706H
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

» Japanese version

  All links  
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (12)   
   PubChem (1)   
   ChEBI (2)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (6)   
   NIKKAJI (1)   
All databases (13)   

Download RDF
DBGET integrated database retrieval system