KEGG   COMPOUND: C07866
Entry
C07866                      Compound                               
Name
Dolasetron
Formula
C19H20N2O3
Exact mass
324.1474
Mol weight
324.3737
Structure
Remark
Same as: D07867
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A04 ANTIEMETICS AND ANTINAUSEANTS
   A04A ANTIEMETICS AND ANTINAUSEANTS
    A04AA Serotonin (5HT3) antagonists
     A04AA04 Dolasetron
      D07867  Dolasetron (INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00063  Dolasetron
    D07867  Dolasetron
  DG01762  Antiemetic
   DG00063  Dolasetron
    D07867  Dolasetron
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00063  Dolasetron
    D07867  Dolasetron
  DG01633  CYP3A/CYP3A4 substrate
   DG00063  Dolasetron
    D07867  Dolasetron
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D07867  Dolasetron (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07867
Other DBs
CAS: 115956-12-2
PubChem: 10068
ChEBI: 4682
NIKKAJI: J332.097I
LinkDB
KCF data

ATOM        24
            1   O7a O    18.1629  -16.4120
            2   C1y C    17.1388  -15.7976
            3   C7a C    19.5966  -16.4120
            4   C8y C    20.2793  -15.2514
            5   O6a O    20.2793  -17.6409
            6   C8y C    21.6448  -15.1831
            7   C8y C    21.9178  -13.8177
            8   N4x N    20.7572  -13.1350
            9   C8x C    19.7331  -14.0225
            10  C8x C    22.5323  -16.0707
            11  C8x C    23.8977  -15.6610
            12  C8x C    24.1708  -14.3639
            13  C8x C    23.1467  -13.4080
            14  C1y C    15.0224  -15.1831
            15  N1y N    15.5686  -12.5888
            16  C1x C    14.2031  -15.7976
            17  C1x C    16.2513  -15.1831
            18  C1y C    15.5686  -13.9542
            19  C1x C    14.3397  -11.9061
            20  C1y C    13.1790  -13.9542
            21  C1x C    14.3397  -14.6369
            22  C1x C    16.7292  -14.6369
            23  C5x C    13.1790  -12.5888
            24  O5x O    11.9501  -11.9061
BOND        28
            1     2   1 1
            2     1   3 1
            3     3   4 1
            4     3   5 2
            5     4   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     4   9 2
            10    6  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    7  13 2
            15   14  15 1
            16   14  16 1
            17   14  17 1
            18   15  18 1
            19   15  19 1
            20   16  20 1
            21   17   2 1
            22   18  21 1
            23   18  22 1
            24   19  23 1
            25   23  24 2
            26   20  21 1
            27   20  23 1
            28    2  22 1

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