KEGG   COMPOUND: C13666Help
Entry
C13666                      Compound                               

Name
Tropisetron
Formula
C17H20N2O2
Exact mass
284.1525
Mol weight
284.3529
Structure
Mol fileKCF fileDB search
Remark
Same as: D02130
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
     A04AA03 Tropisetron
      D02130  Tropisetron (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D02130  Tropisetron (INN)
BRITE hierarchy
Other DBs
CAS: 89565-68-4
PubChem: 586259
ChEBI: 32269
ChEMBL: CHEMBL56564
PDB-CCD: TKT[PDBj]
NIKKAJI: J22.211I
KCF data Show

ATOM        21
            1   O7a O    31.1500  -19.0400
            2   C1y C    30.0300  -18.4100
            3   C1x C    29.0500  -16.9400
            4   C1x C    29.0500  -17.9200
            5   C1y C    27.5800  -16.9400
            6   C1y C    27.5100  -17.9200
            7   N1y N    26.7400  -15.9600
            8   C1x C    26.6000  -17.5000
            9   C1x C    26.0400  -18.5500
            10  C1a C    26.7400  -14.6300
            11  C7a C    32.5500  -19.0400
            12  C8y C    33.2500  -17.7800
            13  O6a O    33.2500  -20.3000
            14  C8y C    34.6500  -17.7800
            15  C8y C    34.9300  -16.3800
            16  N4x N    33.7400  -15.6800
            17  C8x C    32.6900  -16.5900
            18  C8x C    35.7000  -18.6900
            19  C8x C    37.0300  -18.2700
            20  C8x C    37.3100  -16.9400
            21  C8x C    36.3300  -15.9600
BOND        24
            1     2   4 1
            2     3   5 1
            3     4   6 1
            4     5   7 1
            5     5   8 1
            6     6   9 1
            7     6   7 1
            8     8   9 1
            9     2   1 1 #Down
            10    2   3 1
            11    7  10 1
            12    1  11 1
            13   11  12 1
            14   11  13 2
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   12  17 2
            20   14  18 2
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   15  21 2

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