KEGG   COMPOUND: C07416Help
Entry
C07416                      Compound                               

Name
Penbutolol
Formula
C18H29NO2
Exact mass
291.2198
Mol weight
291.4284
Structure
Mol fileKCF fileDB search
Remark
Same as: D08074
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AA Beta blocking agents, non-selective
     C07AA23 Penbutolol
      D08074  Penbutolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D08074  Penbutolol (INN)
BRITE hierarchy
Other DBs
CAS: 38363-40-5
PubChem: 9620
ChEBI: 7954
ChEMBL: CHEMBL1290
NIKKAJI: J22.286K
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8y C    23.3397  -17.8269
            2   C8y C    23.3397  -19.2949
            3   C1y C    24.5980  -17.1279
            4   C8x C    22.1514  -17.1279
            5   O2a O    24.5980  -19.9939
            6   C8x C    22.1514  -19.9939
            7   C1x C    25.9261  -17.6172
            8   C1x C    24.5980  -15.7298
            9   C8x C    20.8931  -17.8269
            10  C1b C    25.7863  -19.2949
            11  C8x C    20.8931  -19.2949
            12  C1x C    26.7650  -16.4288
            13  C1x C    25.9261  -15.3104
            14  C1c C    27.0446  -19.9939
            15  C1b C    28.2329  -19.2949
            16  O1a O    27.0446  -21.3920
            17  N1b N    29.4912  -19.9939
            18  C1d C    30.6795  -19.2949
            19  C1a C    31.8679  -18.6656
            20  C1a C    30.1902  -18.2463
            21  C1a C    31.3087  -20.5531
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13   10  14 1
            14   14  15 1
            15   14  16 1 #Down
            16   15  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 1
            21    9  11 2
            22   12  13 1

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