KEGG   DRUG: D08628Help
Entry
D08628                      Drug                                   

Name
Treprostinil monosodium salt;
Treprostinil sodium;
Remodulin (TN)
Formula
C23H33O5. Na
Exact mass
412.2226
Mol weight
412.4949
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Vasodilator;
Anticoagulant, platelet aggregation inhibior
Remark
ATC code: 
Target
prostaglandin I2 receptor agonist [HSA:5739] [KO:K04263]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Interaction
Drug interaction
Structure map
Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC21 Treprostinil
      D08628  Treprostinil monosodium salt
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Pulmonary Antihypertensives
   Treprostinil
    D08628  Treprostinil monosodium salt
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    prostaglandin I2 receptor [HSA:5739] [KO:K04263]
     Treprostinil [ATC:B01AC21]
      D08628  Treprostinil monosodium salt
BRITE hierarchy
Other DBs
CAS: 
289480-64-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   Z   Na    7.3420  -18.7457 #+
            2   C1x C    11.0600  -21.6300
            3   C1y C    11.8300  -22.8900
            4   C1y C    13.1600  -22.4000
            5   C1y C    13.1600  -21.0000
            6   C1y C    11.8300  -20.5100
            7   C1b C    14.3500  -23.1700
            8   C1b C    15.5400  -22.4000
            9   C1c C    16.7300  -23.1700
            10  C1b C    17.9200  -22.4000
            11  O1a O    16.7300  -24.5700
            12  C1b C    19.1800  -23.1700
            13  C1b C    20.3700  -22.4000
            14  C1b C    21.5600  -23.1700
            15  C1a C    22.7500  -22.4000
            16  O1a O    11.3400  -24.2200
            17  C1x C    14.2100  -20.0900
            18  C8y C    14.0000  -18.6900
            19  C8y C    12.6700  -18.2000
            20  C1x C    11.6200  -19.1100
            21  C8x C    15.0500  -17.8500
            22  C8x C    14.8400  -16.4500
            23  C8x C    13.5100  -15.9600
            24  C8y C    12.4600  -16.8700
            25  O2a O    11.2700  -16.1700
            26  C1b C    10.0800  -16.8700
            27  C6a C     8.8900  -16.1700
            28  O6a O     7.6300  -16.8700 #-
            29  O6a O     8.8900  -14.7700
BOND        30
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   6 1
            6     4   7 1 #Up
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 1 #Down
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    3  16 1 #Down
            16    5  17 1 #Down
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20    6  20 1 #Down
            21   18  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   19  24 2
            26   25  24 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   27  29 2

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