KEGG   COMPOUND: C07325Help
Entry
C07325                      Compound                               

Name
Ondansetron
Formula
C18H19N3O
Exact mass
293.1528
Mol weight
293.363
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
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)
USP drug classification [BR:br08302]
 Antiemetics
  Emetogenic Therapy Adjuncts
   Ondansetron
    D00456  Ondansetron (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2391  Antiemetics
     D00456  Ondansetron (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT3-receptor
     Ondansetron
      D00456  Ondansetron (JAN/USP/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP1A2
   Ondansetron
    D00456  Ondansetron (JAN/USP/INN)
  CYP2D6
   Ondansetron
    D00456  Ondansetron (JAN/USP/INN)
  CYP3A4
   Ondansetron
    D00456  Ondansetron (JAN/USP/INN)
Gastrointestinal agents [br08371.html]
 Antiemetic
  D00456
BRITE hierarchy
Other DBs
CAS: 
99614-02-5
PubChem: 
ChEBI: 
ChEMBL: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

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

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