KEGG   DRUG: Bismuth subcitrate potassium
Entry
D09739                      Drug                                   
Name
Bismuth subcitrate potassium (USAN)
Formula
(C6H5O7)2. Bi. 5K
Exact mass
781.8060
Mol weight
782.67
Structure
Simcomp
Remark
ATC code: A02BX05
Chemical structure group: DG00027
Product (mixture): D10245<US>
Efficacy
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
      D09739  Bismuth subcitrate potassium (USAN)
Other DBs
CAS: 880149-29-1
PubChem: 124490479
LigandBox: D09739
LinkDB
KCF data

ATOM        32
            1   Z   Bi   30.3800  -17.8500 #3+
            2   C1d C    23.9400  -19.8800
            3   C1b C    22.7500  -20.5800
            4   C1b C    25.1300  -20.5800
            5   C6a C    24.6400  -18.6900
            6   O1a O    23.2400  -18.6900
            7   C6a C    21.5600  -19.9500
            8   C6a C    25.1300  -21.9800
            9   O6a O    23.9400  -17.5000 #-
            10  O6a O    26.0400  -18.6900
            11  O6a O    20.3000  -20.6500 #-
            12  O6a O    21.5600  -18.5500
            13  O6a O    26.3900  -22.6800 #-
            14  O6a O    23.9400  -22.6800
            15  Z   K    29.8900  -19.6700 #+
            16  Z   K    31.5000  -19.6000 #+
            17  Z   K    29.8900  -21.2100 #+
            18  Z   K    31.5700  -21.2100 #+
            19  Z   K    30.7300  -22.6800 #+
            20  C1d C    23.9400  -19.8800
            21  C1b C    22.7500  -20.5800
            22  C6a C    21.5600  -19.9500
            23  O6a O    20.3000  -20.6500 #-
            24  O6a O    21.5600  -18.5500
            25  C1b C    25.1300  -20.5800
            26  C6a C    25.1300  -21.9800
            27  O6a O    26.3900  -22.6800 #-
            28  O6a O    23.9400  -22.6800
            29  C6a C    24.6400  -18.6900
            30  O6a O    23.9400  -17.5000 #-
            31  O6a O    26.0400  -18.6900
            32  O1a O    23.2400  -18.6900
BOND        24
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1
            6     4   8 1
            7     5   9 1
            8     5  10 2
            9     7  11 1
            10    7  12 2
            11    8  13 1
            12    8  14 2
            13   20  21 1
            14   20  25 1
            15   20  29 1
            16   20  32 1
            17   21  22 1
            18   25  26 1
            19   29  30 1
            20   29  31 2
            21   22  23 1
            22   22  24 2
            23   26  27 1
            24   26  28 2
BRACKET     1    19.3900  -23.7300   19.3900  -16.5200
            1    27.5100  -16.5200   27.5100  -23.7300
            1  2
 ORIGINAL  1    2   3   7  11  12   4   8  13  14   5   9  10   6
 REPEAT    1   20  21  22  23  24  25  26  27  28  29  30  31  32

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