KEGG   COMPOUND: C18698
Entry
C18698                      Compound                               
Name
Diphenadione
Formula
C23H16O3
Exact mass
340.1099
Mol weight
340.3713
Structure
Remark
Same as: D07136
Brite
Pesticides [BR:br08007]
 Pesticides
  Rodenticides
   Others
    C18698  Diphenadione
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AA Vitamin K antagonists
     B01AA10 Diphenadione
      D07136  Diphenadione (INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01708  Coumarin anticoagulant
    DG01761  Phenindion type coumarin derivative
     D07136  Diphenadione
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Vitamin-K-epoxide reductase
    VKORC1
     D07136  Diphenadione (INN)
Other DBs
CAS: 82-66-6
PubChem: 124489372
ChEBI: 81896
KCF data

ATOM        26
            1   C8x C    22.9600  -15.8200
            2   C8x C    22.9600  -17.2200
            3   C8x C    24.1500  -17.9200
            4   C8y C    25.4100  -17.2200
            5   C8y C    25.4100  -15.8200
            6   C8x C    24.1500  -15.1200
            7   C5x C    26.7400  -17.7100
            8   C1y C    27.5800  -16.5200
            9   C5x C    26.7400  -15.4000
            10  O5x O    27.1600  -19.0400
            11  O5x O    27.1600  -14.0700
            12  C5a C    28.9100  -16.5200
            13  C1c C    29.6100  -17.7800
            14  O5a O    29.6100  -15.3300
            15  C8y C    31.0100  -17.7800
            16  C8x C    31.7100  -18.9700
            17  C8x C    33.1100  -18.9700
            18  C8x C    33.8100  -17.7800
            19  C8x C    33.1100  -16.5200
            20  C8x C    31.7100  -16.5200
            21  C8y C    29.1900  -19.0400
            22  C8x C    28.0000  -19.7400
            23  C8x C    28.0000  -21.1400
            24  C8x C    29.1900  -21.9100
            25  C8x C    30.3800  -21.2100
            26  C8x C    30.3800  -19.8100
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    7  10 2
            12    9  11 2
            13    8  12 1
            14   12  13 1
            15   12  14 2
            16   13  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   13  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1

» Japanese version

  All links  
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
All databases (4)   

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