KEGG   COMPOUND: C06967Help
Entry
C06967                      Compound                               

Name
Dobutamine
Formula
C18H23NO3
Exact mass
301.1678
Mol weight
301.3801
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA07 Dobutamine
      D03879  Dobutamine (USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Dobutamine
      D03879  Dobutamine (USP/INN)
BRITE hierarchy
Other DBs
CAS: 
34368-04-2
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    26.0327  -17.3595
            2   C8x C    27.2497  -16.6666
            3   C8x C    26.0270  -18.7628
            4   C1b C    24.8217  -16.6607
            5   C8y C    28.4609  -17.3711
            6   C8x C    27.2380  -19.4673
            7   C1b C    23.6047  -17.3595
            8   C8y C    28.4550  -18.7686
            9   O1a O    29.6778  -16.6783
            10  N1b N    22.3937  -16.6666
            11  O1a O    29.6662  -19.4730
            12  C1c C    21.1884  -17.3654
            13  C1b C    19.9715  -16.6666
            14  C1a C    21.1884  -18.7628
            15  C1b C    18.7603  -17.3654
            16  C8y C    17.5435  -16.6666
            17  C8x C    16.3382  -17.3654
            18  C8x C    17.5435  -15.2692
            19  C8x C    15.1213  -16.6666
            20  C8x C    16.3382  -14.5646
            21  C8y C    15.1213  -15.2692
            22  O1a O    13.9043  -14.5646
BOND        23
            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     5   8 2
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11   10  12 1
            12   12  13 1
            13   12  14 1
            14   13  15 1
            15   15  16 1
            16   16  17 2
            17   16  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21   21  22 1
            22    6   8 1
            23   20  21 1

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