Bismuth subcitrate


Entry
D07587                      Drug                                   
Name
Bismuth subcitrate;
Tripotassium dicitratobismuthate;
De-Nol (TN)
Formula
(C6H5O7)2. Bi. 3K
Exact mass
703.8786
Mol weight
704.4747
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG01954  Antacid
Remark
ATC code: A02BX05
Chemical structure group: DG00027
Product (mixture): D10245<US>
Efficacy
Antacid, Anti-ulcerative
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BX Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD)
     A02BX05 Bismuth subcitrate
      D07587  Bismuth subcitrate
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01954  Antacid
    D07587  Bismuth subcitrate
Other DBs
CAS: 57644-54-9
PubChem: 51091899
LigandBox: D07587
NIKKAJI: J300.162H
KCF data

ATOM        30
            1   Z   Bi   28.9100  -17.8500 #3+
            2   Z   K    31.5000  -16.3800 #+
            3   Z   K    31.5000  -17.9900 #+
            4   Z   K    31.5000  -19.6000 #+
            5   C1d C    22.9600  -18.1300
            6   C1b C    21.7700  -18.8300
            7   C1b C    24.1500  -18.8300
            8   C6a C    23.6600  -16.9400
            9   O1a O    22.2600  -16.9400
            10  C6a C    20.5800  -18.2000
            11  C6a C    24.1500  -20.2300
            12  O6a O    22.9600  -15.7500 #-
            13  O6a O    25.0600  -16.9400
            14  O6a O    19.3200  -18.9000 #-
            15  O6a O    20.5800  -16.8000
            16  O6a O    25.4100  -20.9300 #-
            17  O6a O    22.9600  -20.9300
            18  C1d C    22.9600  -18.1300
            19  C1b C    21.7700  -18.8300
            20  C6a C    20.5800  -18.2000
            21  O6a O    19.3200  -18.9000 #-
            22  O6a O    20.5800  -16.8000
            23  C1b C    24.1500  -18.8300
            24  C6a C    24.1500  -20.2300
            25  O6a O    25.4100  -20.9300 #-
            26  O6a O    22.9600  -20.9300
            27  C6a C    23.6600  -16.9400
            28  O6a O    22.9600  -15.7500 #-
            29  O6a O    25.0600  -16.9400
            30  O1a O    22.2600  -16.9400
BOND        24
            1     5   6 1
            2     5   7 1
            3     5   8 1
            4     5   9 1
            5     6  10 1
            6     7  11 1
            7     8  12 1
            8     8  13 2
            9    10  14 1
            10   10  15 2
            11   11  16 1
            12   11  17 2
            13   18  19 1
            14   18  23 1
            15   18  27 1
            16   18  30 1
            17   19  20 1
            18   23  24 1
            19   27  28 1
            20   27  29 2
            21   20  21 1
            22   20  22 2
            23   24  25 1
            24   24  26 2
BRACKET     1    17.6400  -22.0500   17.6400  -14.4200
            1    27.1600  -14.4200   27.1600  -22.0500
            1  2
 ORIGINAL  1    5   6  10  14  15   7  11  16  17   8  12  13   9
 REPEAT    1   18  19  20  21  22  23  24  25  26  27  28  29  30