KEGG   DRUG: D09842Help
Entry
D09842                      Drug                                   
Name
dl-Methylephedrine saccharinate (JAN)
Formula
C7H5NO3S. C11H17NO
Exact mass
362.13
Mol weight
362.4433
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator [DS:H00079]
Target
beta2-adrenergic receptor agonist [HSA:154] [KO:K04142];
beta1-adrenergic receptor agonist [HSA:153] [KO:K04141];
beta3-adrenergic receptor agonist [HSA:155] [KO:K04143];
alpha1-adrenergic receptor agonist [HSA:146 147 148] [KO:K04137 K04136 K04135];
alpha2-adrenergic receptor agonist [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor [HSA:146 147 148] [KO:K04137 K04136 K04135]
     Methylephedrine
      D09842  dl-Methylephedrine saccharinate (JAN)
    alpha2-adrenergic receptor [HSA:150 151 152] [KO:K04138 K04139 K04140]
     Methylephedrine
      D09842  dl-Methylephedrine saccharinate (JAN)
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Methylephedrine
      D09842  dl-Methylephedrine saccharinate (JAN)
    beta2-adrenergic receptor [HSA:154] [KO:K04142]
     Methylephedrine
      D09842  dl-Methylephedrine saccharinate (JAN)
    beta3-adrenergic receptor [HSA:155] [KO:K04143]
     Methylephedrine
      D09842  dl-Methylephedrine saccharinate (JAN)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        25
            1   C8y C    24.4300  -22.3300
            2   C8y C    24.4300  -23.7300
            3   S2x S    25.7600  -24.2200
            4   N1x N    26.6000  -23.0300
            5   C5x C    25.7600  -21.9100
            6   C8x C    21.9800  -23.7300
            7   C8x C    23.2400  -24.4300
            8   C8x C    23.2400  -21.6300
            9   C8x C    21.9800  -22.3300
            10  O5x O    26.1100  -20.5800
            11  O3c O    24.8500  -25.2700
            12  O3c O    27.0900  -24.6400
            13  C8x C    11.5500  -22.5400
            14  C8x C    11.5500  -23.9400
            15  C8x C    12.7624  -24.6400
            16  C8x C    13.9749  -23.9400
            17  C8y C    13.9749  -22.5400
            18  C8x C    12.7624  -21.8400
            19  C1c C    15.2060  -21.8290
            20  C1c C    16.4112  -22.5247
            21  O1a O    15.2057  -20.4401
            22  N1c N    17.5935  -21.8419
            23  C1a C    16.4116  -23.9396
            24  C1a C    18.7875  -22.5312
            25  C1a C    17.5935  -20.4402
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     6   7 2
            5     7   2 1
            6     1   8 1
            7     8   9 2
            8     9   6 1
            9     4   5 1
            10    5  10 2
            11    5   1 1
            12    3  11 2
            13    3  12 2
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   17  19 1
            21   19  20 1
            22   19  21 1
            23   20  22 1
            24   20  23 1
            25   22  24 1
            26   22  25 1

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