KEGG   DRUG: Ecabet sodium hydrate
Entry
D01991                      Drug                                   

Name
Ecabet sodium hydrate (JP17);
Ecabet sodium;
Gastrom (TN)
Formula
C20H27O5S. 5H2O. Na
Exact mass
492.2005
Mol weight
492.5565
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG02008  Gastric mucosal protectant
 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 (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01991  Ecabet sodium hydrate
  D01991  Ecabet sodium granules
Other DBs
PubChem: 7849053
ChEMBL: CHEMBL4303208
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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KEGG   DRUG: Ecabet
Entry
D07885                      Drug                                   

Name
Ecabet (INN)
Formula
C20H28O5S
Exact mass
380.1657
Mol weight
380.4983
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG02008  Gastric mucosal protectant
 DG02008  Gastric mucosal protectant
Remark
Chemical structure group: DG01869
Product (DG01869): D01991<JP>
Efficacy
Anti-ulcerative
Comment
Treatment of gastric ulcera
Interaction
Structure map
map07038  Antiulcer drugs
Other DBs
CAS: 33159-27-2
PubChem: 96024581
ChEMBL: CHEMBL1987913 CHEMBL2104585
LigandBox: D07885
NIKKAJI: J550.676J
LinkDB
KCF data

ATOM        26
            1   C8x C    23.2400  -16.3800
            2   C8y C    24.4300  -17.0800
            3   C8y C    24.4300  -18.4800
            4   C8x C    23.2400  -19.1800
            5   C8y C    21.9800  -18.4800
            6   C8y C    21.9800  -17.0800
            7   S4a S    20.7900  -16.3800
            8   O1d O    20.0900  -17.6400
            9   O1d O    21.4900  -15.1900
            10  O1d O    19.6000  -15.6800
            11  C1c C    20.7900  -19.1800
            12  C1a C    20.7900  -20.5800
            13  C1a C    19.6000  -18.4800
            14  C1z C    25.6200  -16.3800
            15  C1y C    26.8800  -17.0800
            16  C1x C    26.8800  -18.4800
            17  C1x C    25.6200  -19.1800
            18  C1x C    25.6200  -14.9800
            19  C1x C    26.8800  -14.2800
            20  C1x C    28.0700  -14.9800
            21  C1z C    28.0700  -16.3800
            22  C1a C    24.4300  -15.6800
            23  C1a C    29.2600  -15.6800
            24  C6a C    29.2600  -17.0800
            25  O6a O    30.5200  -16.3800
            26  O6a O    29.2600  -18.4800
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 2
            9     7   9 2
            10    7  10 1
            11    5  11 1
            12   11  12 1
            13   11  13 1
            14    2  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18    3  17 1
            19   14  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   15  21 1
            24   14  22 1 #Down
            25   21  23 1 #Down
            26   21  24 1 #Up
            27   24  25 1
            28   24  26 2

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