KEGG   COMPOUND: C07450
Entry
C07450                      Compound                               
Name
Dexmedetomidine
Formula
C13H16N2
Exact mass
200.1313
Mol weight
200.2795
Structure
Remark
Same as: D00514
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CM Other hypnotics and sedatives
     N05CM18 Dexmedetomidine
      D00514  Dexmedetomidine (USAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01450  alpha-Adrenergic receptor agonist
    DG01449  alpha2-Adrenergic receptor agonist
     DG00926  Dexmedetomidine
      D00514  Dexmedetomidine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00926  Dexmedetomidine
    D00514  Dexmedetomidine
  DG01638  CYP2A6 substrate
   DG00926  Dexmedetomidine
    D00514  Dexmedetomidine
  DG01639  CYP2C19 substrate
   DG00926  Dexmedetomidine
    D00514  Dexmedetomidine
  DG01644  CYP2D6 substrate
   DG00926  Dexmedetomidine
    D00514  Dexmedetomidine
  DG02855  CYP2E1 substrate
   DG00926  Dexmedetomidine
    D00514  Dexmedetomidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D00514  Dexmedetomidine (USAN/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00514
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00514
Other DBs
CAS: 113775-47-6
PubChem: 9653
ChEBI: 4466
PDB-CCD: CZX[PDBj]
NIKKAJI: J263.999H
LinkDB
KCF data

ATOM        15
            1   C8y C    21.8272  -21.6681
            2   C1c C    23.0385  -20.9602
            3   C8y C    20.6160  -20.9602
            4   C8x C    21.8272  -23.0606
            5   C8y C    24.2672  -21.6681
            6   C1a C    23.0385  -19.5617
            7   C8y C    19.3990  -21.6681
            8   C1a C    20.6103  -19.5617
            9   C8x C    20.6160  -23.7628
            10  C8x C    24.2846  -23.0713
            11  N5x N    25.5855  -21.2142
            12  C8x C    19.4048  -23.0723
            13  C1a C    18.1879  -20.9660
            14  N4x N    25.6226  -23.4793
            15  C8x C    26.4129  -22.3344
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    7  12 2
            12    7  13 1
            13   10  14 1
            14   11  15 2
            15    9  12 1
            16   14  15 1

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