KEGG   DRUG: Treprostinil monosodium saltHelp
Entry
D08628                      Drug                                   

Name
Treprostinil monosodium salt;
Treprostinil sodium
Formula
C23H33O5. Na
Exact mass
412.2226
Mol weight
412.4949
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
 DG01810  Prostacycline derivative
Other
 DG01961  Prostaglandin derivative
  DG01810  Prostacycline derivative
Unclassified
 DG02573  Prostanoid derivative
  DG01961  Prostaglandin derivative
   DG01810  Prostacycline derivative
Remark
ATC code: 
Chemical group: 
Efficacy
Anticoagulant, Vasodilator, Platelet aggregation inhibitor, Prostaglandin I2 receptor agonist
Comment
Prostacycline derivative
Target
  Pathway
Neuroactive ligand-receptor interaction
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
     Treprostinil
      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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