KEGG   DRUG: Berberine sulfate hydrateHelp
Entry
D03293                      Drug                                   

Name
Berberine sulfate hydrate (JAN);
Erben (TN)
Formula
(C20H18NO4)2. SO4. xH2O
Structure
Mol fileKCF fileDB search
Class
Anti-allergic agent
 DG01957  Antidiarrheal
Remark
Therapeutic category: 2314
Chemical structure group: DG01773
Product (DG01773): D01250<JP> D03293<JP>
Efficacy
Antidiarrheal
Interaction
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   231  Antidiarrheals, intestinal regulators
    2314  Berberines
     D03293  Berberine sulfate hydrate (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for ophthalmologic use
  62 General eye drops
   D03293  Berberine sulfate hydrate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Berberine
    D03293  Berberine sulfate hydrate (JAN)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Coptis rhizome
    D03293  Berberine sulfate hydrate (JAN)
Animal drugs in Japan [BR:br08331]
 93  Agents affecting digestive organs
  932  Antistomach, antidiarrhoics (including absorptives, antidiarrhoics, antibububble and preparations)
   9324  Berberin, derivatives and preparations
    D03293  Berberine sulfate hydrate
BRITE hierarchy
Other DBs
PubChem: 17397444
LigandBox: D03293
KCF data Show

ATOM        56
            1   O1d O    32.1369  -15.1423 #-
            2   S4a S    33.5318  -15.1423
            3   O1d O    33.5248  -16.5372
            4   O1d O    34.9266  -15.1423 #-
            5   O1d O    33.5248  -13.7475
            6   O0  O    34.4290  -18.8507
            7   C8y C    18.8348  -14.4946
            8   C8y C    18.8348  -15.8955
            9   C8x C    20.0479  -16.5959
            10  C8y C    21.2611  -15.8955
            11  C8y C    21.2611  -14.4946
            12  C8x C    20.0479  -13.7942
            13  C8y C    22.4743  -16.5959
            14  N5y N    23.6874  -15.8955 #+
            15  C1x C    23.6874  -14.4946
            16  C1x C    22.4743  -13.7942
            17  C8x C    22.4743  -17.9968
            18  C8y C    23.6874  -18.6972
            19  C8y C    24.9007  -17.9968
            20  C8x C    24.9007  -16.5959
            21  C8x C    23.6874  -20.0981
            22  C8x C    24.9007  -20.7985
            23  C8y C    26.1138  -20.0981
            24  C8y C    26.1138  -18.6972
            25  O2x O    17.5024  -14.0618
            26  C1x C    16.6790  -15.1951
            27  O2x O    17.5024  -16.3284
            28  O2a O    27.3311  -17.9945
            29  C1a C    28.5293  -18.6864
            30  O2a O    27.3311  -20.8008
            31  C1a C    28.5293  -20.1089
            32  C8y C    18.8348  -14.4946
            33  C8y C    18.8348  -15.8955
            34  C8x C    20.0479  -16.5959
            35  C8y C    21.2611  -15.8955
            36  C8y C    21.2611  -14.4946
            37  C8x C    20.0479  -13.7942
            38  C1x C    22.4743  -13.7942
            39  C1x C    23.6874  -14.4946
            40  N5y N    23.6874  -15.8955 #+
            41  C8y C    22.4743  -16.5959
            42  C8x C    22.4743  -17.9968
            43  C8y C    23.6874  -18.6972
            44  C8y C    24.9007  -17.9968
            45  C8x C    24.9007  -16.5959
            46  C8y C    26.1138  -18.6972
            47  C8y C    26.1138  -20.0981
            48  C8x C    24.9007  -20.7985
            49  C8x C    23.6874  -20.0981
            50  O2a O    27.3311  -20.8008
            51  C1a C    28.5293  -20.1089
            52  O2a O    27.3311  -17.9945
            53  C1a C    28.5293  -18.6864
            54  O2x O    17.5024  -16.3284
            55  C1x C    16.6790  -15.1951
            56  O2x O    17.5024  -14.0618
BOND        62
            1     1   2 1
            2     2   3 2
            3     2   4 1
            4     2   5 2
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10    7  12 1
            11   10  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   11  16 1
            16   13  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   14  20 2
            21   18  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26    7  25 1
            27   25  26 1
            28   26  27 1
            29    8  27 1
            30   24  28 1
            31   28  29 1
            32   23  30 1
            33   30  31 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   32  37 1
            40   35  41 1
            41   41  40 1
            42   40  39 1
            43   39  38 1
            44   36  38 1
            45   41  42 2
            46   42  43 1
            47   43  44 2
            48   44  45 1
            49   40  45 2
            50   43  49 1
            51   49  48 2
            52   48  47 1
            53   47  46 2
            54   44  46 1
            55   32  56 1
            56   56  55 1
            57   55  54 1
            58   33  54 1
            59   46  52 1
            60   52  53 1
            61   47  50 1
            62   50  51 1
BRACKET     1    32.5500  -19.8800   32.5500  -17.8500
            1    34.9300  -17.8500   34.9300  -19.8800
            1  x
 ORIGINAL  1    6
 REPEAT    1
            2    16.2400  -21.2800   16.2400  -13.0200
            2    30.1700  -13.0200   30.1700  -21.2800
            2  2
 ORIGINAL  2    7   8   9  10  11  12  16  15  14  13  17  18  19  20  24  23
            2   22  21  30  31  28  29  27  26  25
 REPEAT    2   32  33  34  35  36  37  38  39  40  41  42  43  44  45  46  47
            2   48  49  50  51  52  53  54  55  56

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