KEGG   COMPOUND: C06939Help
Entry
C06939                      Compound                               

Name
Dantrolene
Formula
C14H10N4O5
Exact mass
314.0651
Mol weight
314.253
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
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
      D02347  Dantrolene (USAN/INN)
USP drug classification [BR:br08302]
 Antispasticity Agents
  Dantrolene
   D02347  Dantrolene (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ryanodine and IP3 receptors
   Ryanodine receptor (RYR)
    ryanodine receptor (RYR1)
     Dantrolene
      D02347  Dantrolene (USAN/INN)
    ryanodine receptor (RYR2)
     Dantrolene
      D02347  Dantrolene (USAN/INN)
    ryanodine receptor (RYR3)
     Dantrolene
      D02347  Dantrolene (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP1A2
   Dantrolene
    D02347  Dantrolene (USAN/INN)
 Transporter substrates
  ABCG2
   Dantrolene
    D02347  Dantrolene (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
7261-97-4
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8y C    22.7931  -16.4995
            2   C8y C    21.5827  -15.8035
            3   O2x O    23.9276  -15.6748
            4   C8x C    23.2259  -17.8327
            5   C8x C    20.3722  -16.4995
            6   C8x C    21.5827  -14.4001
            7   C8y C    25.0620  -16.4995
            8   C8x C    24.6293  -17.8327
            9   C8x C    19.1618  -15.8035
            10  C8x C    20.3722  -13.7044
            11  C2b C    26.2723  -15.8035
            12  C8y C    19.1618  -14.4001
            13  N2b N    27.4886  -16.4995
            14  N2b N    17.9456  -13.7044 #+
            15  N1y N    28.6991  -15.8035
            16  O3a O    16.7352  -14.4001
            17  O3a O    17.9514  -12.3009 #-
            18  C1x C    30.0301  -16.2443
            19  C5x C    28.7198  -14.3923
            20  C5x C    30.8660  -15.1220
            21  N1x N    30.0560  -13.9813
            22  O5x O    27.6033  -13.5559
            23  O5x O    32.2652  -15.1396
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    9  12 2
            12   11  13 2
            13   12  14 1
            14   13  15 1
            15   14  16 2
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 2
            23    7   8 2
            24   10  12 1
            25   20  21 1

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