KEGG   DRUG: Cetamolol hydrochlorideHelp
Entry
D03449                      Drug                                   

Name
Cetamolol hydrochloride (USAN)
Formula
C16H26N2O4. HCl
Exact mass
346.1659
Mol weight
346.8496
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
Efficacy
Antihypertensive, beta1-Adrenergic receptor antagonist
Target
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D03449  Cetamolol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 77590-95-5
PubChem: 17397589
ChEMBL: CHEMBL2105989
LigandBox: D03449
NIKKAJI: J311.693J
KCF data Show

ATOM        23
            1   X   Cl   21.8400  -26.4600
            2   C1b C    17.4300  -21.8400
            3   O2a O    16.2400  -22.5400
            4   C1b C    19.8100  -21.8400
            5   C1c C    18.6200  -22.5400
            6   O1a O    18.6200  -23.8700
            7   N1b N    21.0000  -22.5400
            8   C1d C    22.1200  -21.8400
            9   C1a C    23.3100  -22.5400
            10  C1a C    22.1200  -20.4400
            11  C1a C    23.3800  -21.1400
            12  C8y C    16.2463  -23.9336
            13  C8y C    15.0296  -24.6435
            14  C8x C    15.0359  -26.0434
            15  C8x C    16.2515  -26.7380
            16  C8x C    17.3983  -26.0281
            17  C8x C    17.4619  -24.6281
            18  O2a O    13.8280  -23.9568
            19  C1b C    12.6499  -24.6440
            20  C5a C    11.4479  -23.9570
            21  N1b N    10.2699  -24.6440
            22  C1a C     9.0680  -23.9569
            23  O5a O    11.5114  -22.5405
BOND        22
            1     2   3 1
            2     4   5 1
            3     2   5 1
            4     5   6 1
            5     4   7 1
            6     7   8 1
            7     8   9 1
            8     8  10 1
            9     8  11 1
            10    3  12 1
            11   12  13 2
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   12  17 1
            17   13  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   20  23 2

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