KEGG   DRUG: Calcium citrate
Entry
D00933                      Drug                                   
Name
Calcium citrate (USP);
Calcium citrate tetrahydrate;
Citracal (TN)
Formula
(C6H5O7)2. 3Ca. 4H2O
Exact mass
569.9371
Mol weight
570.4945
Structure
Simcomp
Class
Gastrointestinal agent
 DG01980  Calcium
Remark
ATC code: A12AA13
Efficacy
Supplement (calcium)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A12 MINERAL SUPPLEMENTS
   A12A CALCIUM
    A12AA Calcium
     A12AA13 Calcium citrate
      D00933  Calcium citrate (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Anhydrous citric acid
    D00933  Calcium citrate (USP)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01980  Calcium
   D00933  Calcium citrate
Other DBs
CAS: 5785-44-4
PubChem: 7847996
LigandBox: D00933
KCF data

ATOM        33
            1   C1d C    12.3042  -14.3424
            2   C1b C    11.0908  -15.0423
            3   C1b C    13.5174  -15.0366
            4   C6a C    12.9982  -13.1292
            5   O1a O    11.5985  -13.1234
            6   C6a C     9.8836  -14.3483
            7   C6a C    13.5174  -16.4306
            8   O6a O    14.3982  -13.1292
            9   O6a O    12.2866  -11.9101 #-
            10  O6a O     9.8776  -12.9483
            11  O6a O     8.6761  -15.0483 #-
            12  O6a O    12.2983  -17.1248
            13  O6a O    14.7248  -17.1365 #-
            14  Z   Ca   18.5462  -14.9495 #2+
            15  O0  O    23.6989  -14.8065
            16  C1d C    12.3042  -14.3424
            17  C1b C    11.0908  -15.0423
            18  C6a C     9.8836  -14.3483
            19  O6a O     9.8776  -12.9483
            20  O6a O     8.6761  -15.0483 #-
            21  C1b C    13.5174  -15.0366
            22  C6a C    13.5174  -16.4306
            23  O6a O    12.2983  -17.1248
            24  O6a O    14.7248  -17.1365 #-
            25  C6a C    12.9982  -13.1292
            26  O6a O    14.3982  -13.1292
            27  O6a O    12.2866  -11.9101 #-
            28  O1a O    11.5985  -13.1234
            29  Z   Ca   18.5462  -14.9495 #2+
            30  Z   Ca   18.5462  -14.9495 #2+
            31  O0  O    23.6989  -14.8065
            32  O0  O    23.6989  -14.8065
            33  O0  O    23.6989  -14.8065
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     6  10 2
            10    6  11 1
            11    7  12 2
            12    7  13 1
            13   16  17 1
            14   16  21 1
            15   16  25 1
            16   16  28 1
            17   17  18 1
            18   21  22 1
            19   25  26 2
            20   25  27 1
            21   18  19 2
            22   18  20 1
            23   22  23 2
            24   22  24 1
BRACKET     1     7.9100  -18.2000    7.9100  -10.4300
            1    15.8900  -10.4300   15.8900  -18.2000
            1  2
 ORIGINAL  1    1   2   6  10  11   3   7  12  13   4   8   9   5
 REPEAT    1   16  17  18  19  20  21  22  23  24  25  26  27  28
            2    17.7100  -16.0300   17.7100  -13.5100
            2    20.3700  -13.5100   20.3700  -16.0300
            2  3
 ORIGINAL  2   14
 REPEAT    2   29  30
            3    22.0500  -15.8200   22.0500  -13.7200
            3    24.4300  -13.7200   24.4300  -15.8200
            3  4
 ORIGINAL  3   15
 REPEAT    3   31  32  33

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Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (1)   
   PubChem (1)   
All databases (6)   

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