KEGG   DRUG: D02274Help
Entry
D02274                      Drug                                   

Name
Dantrolene sodium hydrate (JP16);
Dantrolene sodium (USAN);
Dantrium (TN)
Product
  Generic
Formula
(C14H9N4O5. Na)2. 7H2O
Exact mass
798.1681
Mol weight
798.5766
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Relaxant [skeletal mescle]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
ryanodine receptor antagonist [HSA:6261 6262 6263] [KO:K04961 K04962 K04963]
  Pathway
hsa04020  Calcium signaling pathway  
 
Metabolism
Enzyme: CYP1A2 [HSA:1544]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M03 MUSCLE RELAXANTS
   M03C MUSCLE RELAXANTS, DIRECTLY ACTING AGENTS
    M03CA Dantrolene and derivatives
     M03CA01 Dantrolene
      D02274  Dantrolene sodium hydrate (JP16); Dantrolene sodium (USAN)
USP drug classification [BR:br08302]
 Antispasticity Agents
  Dantrolene
   D02274  Dantrolene sodium hydrate (JP16); Dantrolene sodium (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  12  Agents affecting peripheral nervous system
   122  Skeletal muscle relaxants
    1229  Others
     D02274  Dantrolene sodium hydrate (JP16); Dantrolene sodium (USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ryanodine and IP3 receptors
   Ryanodine receptor (RYR)
    ryanodine receptor (RYR1)
     Dantrolene
      D02274  Dantrolene sodium hydrate (JP16); Dantrolene sodium (USAN)
    ryanodine receptor (RYR2)
     Dantrolene
      D02274  Dantrolene sodium hydrate (JP16); Dantrolene sodium (USAN)
    ryanodine receptor (RYR3)
     Dantrolene
      D02274  Dantrolene sodium hydrate (JP16); Dantrolene sodium (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP1A2
   Dantrolene
    D02274  Dantrolene sodium hydrate (JP16); Dantrolene sodium (USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02274  Dantrolene sodium hydrate
BRITE hierarchy
Other DBs
CAS: 
24868-20-0
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        55
            1   O0  O    34.0221  -15.2964
            2   C8y C    20.8070  -16.6600
            3   C8y C    19.5905  -15.9606
            4   O2x O    21.9470  -15.8312
            5   C8x C    21.2418  -17.9998
            6   C8x C    18.3741  -16.6600
            7   C8x C    19.5905  -14.5503
            8   C8y C    23.0871  -16.6600
            9   C8x C    22.6521  -17.9998
            10  C8x C    17.1578  -15.9606
            11  C8x C    18.3741  -13.8510
            12  C2b C    24.3033  -15.9606
            13  C8y C    17.1578  -14.5503
            14  N2b N    25.5257  -16.6600
            15  N2b N    15.9356  -13.8510 #+
            16  N1y N    26.8828  -15.9606
            17  O3a O    14.6724  -14.6441
            18  O3a O    15.9414  -12.4407 #-
            19  C1x C    28.0348  -16.5247
            20  C5x C    26.8948  -14.5503
            21  C5x C    28.9750  -15.4789
            22  N1x N    28.3167  -14.2624 #-
            23  O5x O    25.8547  -13.8914
            24  O5x O    30.2798  -15.4850
            25  Z   Na   28.2099  -12.8800 #+
            26  O0  O    34.0221  -15.2964
            27  O0  O    34.0221  -15.2964
            28  O0  O    34.0221  -15.2964
            29  O0  O    34.0221  -15.2964
            30  O0  O    34.0221  -15.2964
            31  O0  O    34.0221  -15.2964
            32  C8y C    20.8070  -16.6600
            33  C8y C    19.5905  -15.9606
            34  C8x C    18.3741  -16.6600
            35  C8x C    17.1578  -15.9606
            36  C8y C    17.1578  -14.5503
            37  N2b N    15.9356  -13.8510 #+
            38  O3a O    14.6724  -14.6441
            39  O3a O    15.9414  -12.4407 #-
            40  C8x C    18.3741  -13.8510
            41  C8x C    19.5905  -14.5503
            42  O2x O    21.9470  -15.8312
            43  C8y C    23.0871  -16.6600
            44  C2b C    24.3033  -15.9606
            45  N2b N    25.5257  -16.6600
            46  N1y N    26.8828  -15.9606
            47  C1x C    28.0348  -16.5247
            48  C5x C    28.9750  -15.4789
            49  O5x O    30.2798  -15.4850
            50  N1x N    28.3167  -14.2624 #-
            51  C5x C    26.8948  -14.5503
            52  O5x O    25.8547  -13.8914
            53  C8x C    22.6521  -17.9998
            54  C8x C    21.2418  -17.9998
            55  Z   Na   28.2099  -12.8800 #+
BOND        50
            1     2   3 1
            2     2   4 1
            3     2   5 2
            4     3   6 2
            5     3   7 1
            6     4   8 1
            7     5   9 1
            8     6  10 1
            9     7  11 2
            10    8  12 1
            11   10  13 2
            12   12  14 2
            13   13  15 1
            14   14  16 1
            15   15  17 2
            16   15  18 1
            17   16  19 1
            18   16  20 1
            19   19  21 1
            20   20  22 1
            21   20  23 2
            22   21  24 2
            23    8   9 2
            24   11  13 1
            25   21  22 1
            26   32  33 1
            27   32  42 1
            28   32  54 2
            29   33  34 2
            30   33  41 1
            31   42  43 1
            32   54  53 1
            33   34  35 1
            34   41  40 2
            35   43  44 1
            36   35  36 2
            37   44  45 2
            38   36  37 1
            39   45  46 1
            40   37  38 2
            41   37  39 1
            42   46  47 1
            43   46  51 1
            44   47  48 1
            45   51  50 1
            46   51  52 2
            47   48  49 2
            48   43  53 2
            49   40  36 1
            50   48  50 1
BRACKET     1    32.0600  -16.3100   32.0600  -14.2100
            1    34.5100  -14.2100   34.5100  -16.3100
            1  7
 ORIGINAL  1    1
 REPEAT    1   26  27  28  29  30  31
            2    14.2100  -18.2700   14.2100  -11.9000
            2    30.7300  -11.9000   30.7300  -18.2700
            2  2
 ORIGINAL  2    2   3   6  10  13  15  17  18  11   7   4   8  12  14  16  19
            2   21  24  22  20  23   9   5  25
 REPEAT    2   32  33  34  35  36  37  38  39  40  41  42  43  44  45  46  47
            2   48  49  50  51  52  53  54  55

» Japanese version   » Back

DBGET integrated database retrieval system