KEGG   COMPOUND: C06980Help
Entry
C06980                      Compound                               

Name
Esmolol
Formula
C16H25NO4
Exact mass
295.1784
Mol weight
295.374
Structure
Mol fileKCF fileDB search
Remark
Same as: D07916
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AB Beta blocking agents, selective
     C07AB09 Esmolol
      D07916  Esmolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D07916  Esmolol (INN)
BRITE hierarchy
Other DBs
CAS: 103598-03-4
PubChem: 9194
ChEBI: 4856
ChEMBL: CHEMBL768
NIKKAJI: J32.840E
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8y C    30.1234  -16.0990
            2   C8x C    28.9178  -16.8212
            3   C8x C    30.1001  -14.7012
            4   O2a O    31.3466  -16.7863
            5   C8x C    27.6247  -16.1399
            6   C8x C    28.8770  -14.0255
            7   C1b C    32.5520  -16.0640
            8   C8y C    27.6714  -14.7361
            9   C1c C    33.7752  -16.7513
            10  C1b C    26.4484  -14.0605
            11  C1b C    34.9692  -16.0291
            12  O1a O    33.7926  -18.1491
            13  C1b C    25.2544  -14.7770
            14  N1b N    36.1922  -16.7106
            15  C7a C    24.0255  -14.1014
            16  C1c C    37.3979  -15.9884
            17  O7a O    22.8256  -14.8177
            18  O6a O    24.0079  -12.7035
            19  C1a C    38.6209  -16.6756
            20  C1a C    37.3746  -14.5905
            21  C1a C    21.6025  -14.1421
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   16  20 1
            20   17  21 1
            21    6   8 2

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