KEGG   DRUG: Dantrolene sodiumHelp
Entry
D02274                      Drug                                   

Name
Dantrolene sodium (USAN);
Dantrolene sodium hydrate (JP17);
Dantrium (TN)
Product
  Generic
Formula
(C14H9N4O5. Na)2. 7H2O
Exact mass
798.1681
Mol weight
798.5766
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cyp substrate
 DG01892  CYP1A2 substrate
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Skeletal muscle relaxant
Target
RYR [HSA:6261 6262 6263] [KO:K04961 K04962 K04963]
  Pathway
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 (USAN)
USP drug classification [BR:br08302]
 Antispasticity Agents
  Dantrolene
   D02274  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 (USAN); Dantrolene sodium hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ryanodine and IP3 receptors
   Ryanodine receptor (RYR)
    ryanodine receptor (RYR1)
     Dantrolene
      D02274  Dantrolene sodium (USAN)
    ryanodine receptor (RYR2)
     Dantrolene
      D02274  Dantrolene sodium (USAN)
    ryanodine receptor (RYR3)
     Dantrolene
      D02274  Dantrolene sodium (USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP1A2
   Dantrolene
    D02274  Dantrolene sodium (USAN)
 Transporter substrates
  ABCG2
   Dantrolene
    D02274  Dantrolene sodium (USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02274  Dantrolene sodium hydrate
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D02274
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

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