KEGG   DRUG: D08093Help
Entry
D08093                      Drug                                   

Name
Isoxsuprine lactate;
Duphaspasmin [veterinary] (TN)
Formula
C18H23NO3. C3H6O3
Exact mass
391.1995
Mol weight
391.4581
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Vasodilator, peripheric;
beta-Sympathomimetic
Remark
ATC code: 
Target
beta2-adrenergic receptor agonist [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04144  Endocytosis
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AA 2-amino-1-phenylethanol derivatives
     C04AA01 Isoxsuprine
      D08093  Isoxsuprine lactate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor [HSA:154] [KO:K04142]
     Isoxsuprine [ATC:C04AA01]
      D08093  Isoxsuprine lactate
BRITE hierarchy
Other DBs
CAS: 
58379-21-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        28
            1   C8y C    18.9000  -17.3600
            2   C1c C    20.1600  -18.0600
            3   C1c C    21.3500  -17.3600
            4   N1b N    22.5400  -18.0600
            5   C1c C    23.8000  -17.3600
            6   C1b C    24.9900  -18.0600
            7   O2a O    26.1800  -17.3600
            8   C1a C    21.3500  -15.9600
            9   C1a C    23.8000  -15.9600
            10  C8y C    27.4400  -18.0600
            11  C8x C    27.4400  -19.4600
            12  C8x C    28.6300  -20.1600
            13  C8x C    29.8200  -19.4600
            14  C8x C    29.8200  -18.0600
            15  C8x C    28.6300  -17.3600
            16  O1a O    20.1600  -19.4600
            17  C8x C    18.9000  -16.0300
            18  C8x C    17.7100  -15.3300
            19  C8y C    16.5200  -16.0300
            20  C8x C    16.5200  -17.4300
            21  C8x C    17.7100  -18.1300
            22  O1a O    15.2600  -15.3300
            23  C1c C    33.6700  -18.2000
            24  C6a C    34.9300  -17.5000
            25  C1a C    32.4800  -17.5000
            26  O6a O    36.1200  -18.2000
            27  O1a O    33.6700  -19.6000
            28  O6a O    34.9300  -16.1000
BOND        28
            1     5   6 1
            2     2   3 1
            3     6   7 1
            4    10  11 2
            5    11  12 1
            6    12  13 2
            7    13  14 1
            8    14  15 2
            9    15  10 1
            10    2  16 1
            11    3   8 1
            12    3   4 1
            13    5   9 1
            14    1   2 1
            15    7  10 1
            16    1  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   21   1 1
            22    4   5 1
            23   19  22 1
            24   23  24 1
            25   23  25 1
            26   24  26 1
            27   23  27 1
            28   24  28 2

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