KEGG   COMPOUND: C06853
Entry
C06853                      Compound                               
Name
Bitolterol
Formula
C28H31NO5
Exact mass
461.2202
Mol weight
461.5494
Structure
Remark
Same as: D07534
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
     R03AC17 Bitolterol
      D07534  Bitolterol (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01455  beta-Adrenergic receptor agonist
    DG01452  beta2-Adrenergic receptor agonist
     DG01056  Bitolterol
      D07534  Bitolterol
  DG01951  Catecholamine adrenergic receptor agonist
   DG01056  Bitolterol
    D07534  Bitolterol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D07534  Bitolterol (INN)
Other DBs
CAS: 30392-40-6
PubChem: 9071
ChEBI: 3133
NIKKAJI: J20.258D
LinkDB
KCF data

ATOM        34
            1   C8y C    11.8399   -6.5154
            2   C1c C    13.0531   -7.2159
            3   C1b C    14.2665   -6.5154
            4   N1b N    15.4797   -7.2159
            5   C1d C    16.6930   -6.5154
            6   C8x C    11.8399   -5.1145
            7   C8x C    10.6266   -4.4140
            8   C8y C     9.4133   -5.1145
            9   C8y C     9.4133   -6.5154
            10  C8x C    10.6266   -7.2159
            11  O1a O    13.0531   -8.6169
            12  C1a C    17.9062   -5.8149
            13  C1a C    17.9062   -7.2159
            14  C1a C    16.6930   -5.1145
            15  O7a O     8.1813   -4.4030
            16  O7a O     8.1813   -7.2269
            17  C7a C     6.9753   -5.0991
            18  C8y C     5.7922   -4.4159
            19  C8x C     5.7923   -3.0132
            20  C8x C     4.5791   -2.3126
            21  C8y C     3.3658   -3.0130
            22  C8x C     3.3656   -4.4156
            23  C8x C     4.5788   -5.1162
            24  C1a C     2.1512   -2.3116
            25  O6a O     6.9749   -6.5150
            26  C7a C     8.1813   -8.6279
            27  C8y C     6.9848   -9.3187
            28  O6a O     9.4017   -9.3326
            29  C8x C     5.7874   -8.6271
            30  C8x C     4.5740   -9.3275
            31  C8y C     4.5738  -10.7285
            32  C8x C     5.7712  -11.4200
            33  C8x C     6.9846  -10.7197
            34  C1a C     3.3508  -11.4346
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    1  10 1
            11    2  11 1
            12    5  12 1
            13    5  13 1
            14    5  14 1
            15    8  15 1
            16    9  16 1
            17   15  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25   21  24 1
            26   17  25 2
            27   16  26 1
            28   26  27 1
            29   26  28 2
            30   27  29 2
            31   29  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   27  33 1
            36   31  34 1

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