KEGG   COMPOUND: C13494
Entry
C13494                      Compound                               

Name
Mosapride citrate hydrate;
AS 4370
Formula
C21H25ClFN3O3. C6H8O7. 2H2O
Exact mass
649.205
Mol weight
650.047
Structure
Remark
Same as: D01994
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: amine receptors
   Serotonin
    5-HT4-receptor
     C13494  Mosapride citrate hydrate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03F PROPULSIVES
    A03FA Propulsives
     A03FA09 Mosapride
      D01994  Mosapride citrate hydrate (JP17) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D01994  Mosapride citrate hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR4
     D01994  Mosapride citrate hydrate (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01994  Mosapride citrate hydrate
  D01994  Mosapride citrate tablets
  D01994  Mosapride citrate powder
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01994
Animal drugs in Japan [BR:br08331]
 93  Agents affecting digestive organs
  932  Antistomach, antidiarrhoics (including absorptives, antidiarrhoics, antibububble and preparations)
   9329  Other antistomach, antidiarrhoics and preparations
    C13494  Mosapride citrate hydrate
Other DBs
CAS: 636582-62-2
PubChem: 586222
ChEBI: 31867
LinkDB
KCF data

ATOM        44
            1   C1d C    36.2558  -19.4344
            2   C1b C    35.0414  -20.1348
            3   C1b C    37.4700  -20.1348
            4   C6a C    36.9563  -18.2200
            5   O1a O    35.5552  -18.2200
            6   C6a C    33.8271  -19.4810
            7   C6a C    37.4700  -21.5360
            8   O6a O    36.2558  -17.0058
            9   O6a O    38.3573  -18.2200
            10  O6a O    32.6129  -20.1816
            11  O6a O    33.8271  -18.0800
            12  O6a O    38.6843  -22.2365
            13  O6a O    36.2558  -22.2365
            14  C8y C    24.8013  -14.2070
            15  C8y C    24.8013  -15.6067
            16  C8x C    26.0135  -16.3065
            17  C8y C    27.2256  -15.6067
            18  C8y C    27.2256  -14.2070
            19  C8x C    26.0135  -13.5071
            20  C5a C    28.4396  -13.5071
            21  N1b N    29.6518  -14.2070
            22  C1b C    30.8640  -13.5071
            23  C1y C    32.0761  -14.2070
            24  O2x O    32.0761  -15.6067
            25  C1x C    33.2883  -16.3065
            26  C1x C    34.5004  -15.6067
            27  N1y N    34.5004  -14.2070
            28  C1x C    33.2883  -13.5071
            29  O2a O    28.4405  -16.3076
            30  C1b C    29.6528  -15.6077
            31  C1a C    30.8650  -16.3076
            32  X   Cl   23.5899  -13.5076
            33  N1a N    23.5891  -16.3065
            34  O5a O    28.4401  -12.1082
            35  C1b C    35.7194  -13.5080
            36  C8y C    36.9317  -14.2079
            37  C8x C    36.9317  -15.6077
            38  C8x C    38.1439  -16.3076
            39  C8y C    39.3561  -15.6077
            40  C8x C    39.3561  -14.2079
            41  C8x C    38.1439  -13.5080
            42  X   F    40.5711  -16.3092
            43  O0  O    28.1400  -19.8100
            44  O0  O    28.1400  -19.8100
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   14  19 1
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   23  28 1
            29   17  29 1
            30   29  30 1
            31   30  31 1
            32   14  32 1
            33   15  33 1
            34   20  34 2
            35   27  35 1
            36   35  36 1
            37   36  37 2
            38   37  38 1
            39   38  39 2
            40   39  40 1
            41   40  41 2
            42   36  41 1
            43   39  42 1
BRACKET     1    25.7600  -20.8600   25.7600  -18.8300
            1    28.9100  -18.8300   28.9100  -20.8600
            1  2
 ORIGINAL  1   43
 REPEAT    1   44

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