KEGG   DRUG: Ecabet sodium hydrate
Entry
D01991                      Drug                                   
Name
Ecabet sodium hydrate (JP18);
Ecabet sodium;
Gastrom (TN)
Formula
C20H27O5S. 5H2O. Na
Exact mass
492.2005
Mol weight
492.56
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG02008  Gastric mucosal protectant
Remark
Therapeutic category: 2329
Chemical structure group: DG01869
Product (DG01869): D01991<JP>
Efficacy
Anti-ulcerative
Interaction
Structure map
map07038  Antiulcer drugs
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2329  Others
     D01991  Ecabet sodium hydrate (JP18)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG02008  Gastric mucosal protectant
    DG01869  Ecabet
     D01991  Ecabet sodium hydrate
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01991  Ecabet sodium hydrate
  D01991  Ecabet sodium granules
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG02008  Gastric mucosal protectant
    DG01869  Ecabet
Other DBs
PubChem: 7849053
LigandBox: D01991
LinkDB
KCF data

ATOM        32
            1   Z   Na   25.1767  -15.6567 #+
            2   C8x C    30.8463  -16.4071
            3   C8y C    32.0578  -17.1079
            4   C8y C    32.0561  -18.5082
            5   C8x C    30.8430  -19.2078
            6   C8y C    29.6315  -18.5070
            7   C8y C    29.6331  -17.1066
            8   S4a S    28.4216  -16.4058
            9   O1d O    27.7208  -17.6173
            10  O1d O    29.1224  -15.1944
            11  O1d O    27.2101  -15.7050 #-
            12  C1c C    28.4184  -19.2065
            13  C1a C    28.4167  -20.6069
            14  C1a C    27.2069  -18.5057
            15  C1z C    33.2708  -16.4083
            16  C1y C    34.4823  -17.1091
            17  C1x C    34.4807  -18.5095
            18  C1x C    33.2676  -19.2090
            19  C1x C    33.2725  -15.0080
            20  C1x C    34.4856  -14.3084
            21  C1x C    35.6970  -15.0092
            22  C1z C    35.6954  -16.4096
            23  C1a C    32.0594  -15.7075
            24  C1a C    36.9085  -15.7100
            25  C6a C    36.9069  -17.1104
            26  O6a O    38.1200  -16.4108
            27  O6a O    36.9053  -18.5107
            28  O0  O    37.3800  -20.7200
            29  O0  O    37.3800  -20.7200
            30  O0  O    37.3800  -20.7200
            31  O0  O    37.3800  -20.7200
            32  O0  O    37.3800  -20.7200
BOND        28
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     7   8 1
            8     8   9 2
            9     8  10 2
            10    8  11 1
            11    6  12 1
            12   12  13 1
            13   12  14 1
            14    3  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18    4  18 1
            19   15  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   16  22 1
            24   15  23 1 #Down
            25   22  24 1 #Down
            26   22  25 1 #Up
            27   25  26 1
            28   25  27 2
BRACKET     1    35.2100  -21.6300   35.2100  -19.8100
            1    38.0800  -19.8100   38.0800  -21.6300
            1  5
 ORIGINAL  1   29
 REPEAT    1   30  31  32  33

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