KEGG   COMPOUND: C07325
Entry
C07325                      Compound                               
Name
Ondansetron
Formula
C18H19N3O
Exact mass
293.1528
Mol weight
293.363
Structure
Remark
Same as: D00456
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
     A04AA01 Ondansetron
      D00456  Ondansetron (JAN/USP/INN) <US>
USP drug classification [BR:br08302]
 Antiemetics
  Emetogenic Therapy Adjuncts
   Ondansetron
    D00456  Ondansetron (JAN/USP/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00060  Ondansetron
    D00456  Ondansetron
  DG01762  Antiemetic
   DG00060  Ondansetron
    D00456  Ondansetron
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00060  Ondansetron
    D00456  Ondansetron
  DG01644  CYP2D6 substrate
   DG00060  Ondansetron
    D00456  Ondansetron
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00060  Ondansetron
     D00456  Ondansetron
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D00456  Ondansetron (JAN/USP/INN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00456
Other DBs
CAS: 99614-02-5
PubChem: 9533
ChEBI: 7773
PDB-CCD: S87[PDBj]
NIKKAJI: J245.610I
KCF data

ATOM        22
            1   C8y C    33.5300  -17.7100
            2   C8y C    34.8600  -18.2000
            3   C8y C    33.5300  -16.3100
            4   C5x C    32.3400  -18.4100
            5   C8y C    35.6300  -17.0100
            6   C8x C    35.4200  -19.4600
            7   N4y N    34.8600  -15.8900
            8   C1x C    32.3400  -15.6100
            9   C1y C    31.0800  -17.7100
            10  O5x O    32.3400  -19.8100
            11  C8x C    37.0300  -17.1500
            12  C8x C    36.8200  -19.6000
            13  C1a C    35.2800  -14.5600
            14  C1x C    31.0800  -16.3100
            15  C1b C    29.8900  -18.4100
            16  C8x C    37.6600  -18.4800
            17  N4y N    28.7000  -17.7100
            18  C8y C    28.7000  -16.3100
            19  C8x C    27.3000  -18.1300
            20  N5x N    27.3700  -15.8200
            21  C1a C    29.8900  -15.5400
            22  C8x C    26.5300  -16.9400
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   11  16 1
            16   15  17 1
            17   17  18 1
            18   17  19 1
            19   18  20 2
            20   18  21 1
            21   19  22 2
            22    5   7 1
            23    9  14 1
            24   12  16 2
            25   20  22 1

» Japanese version

  All links  
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

Download RDF
DBGET integrated database retrieval system