KEGG   DRUG: Calcium gluceptate
Entry
D00934                      Drug                                   
Name
Calcium gluceptate (USP);
Calcium glucoheptonate (INN);
Calcium gluceptate (TN)
Formula
(C7H13O8)2. Ca
Exact mass
490.0847
Mol weight
490.4246
Structure
Class
Gastrointestinal agent
 DG01980  Calcium
Remark
ATC code: A12AA10
Chemical structure group: DG02889
Efficacy
Supplement (calcium)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A12 MINERAL SUPPLEMENTS
   A12A CALCIUM
    A12AA Calcium
     A12AA10 Calcium glucoheptonate
      D00934  Calcium gluceptate (USP)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01980  Calcium
   DG02889  Gluceptate
    D00934  Calcium gluceptate
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01980  Calcium
   DG02889  Gluceptate
Other DBs
CAS: 29039-00-7
PubChem: 7847997
ChEBI: 3314
LigandBox: D00934
NIKKAJI: J306.709B
LinkDB
KCF data

ATOM        31
            1   C1c C    22.6100  -17.0800
            2   C1c C    23.8700  -16.3800
            3   C1c C    21.4200  -16.3800
            4   O1a O    22.6100  -18.4800
            5   C1c C    25.0600  -17.0800
            6   O1a O    23.8000  -14.9800
            7   C1c C    20.1600  -17.0800
            8   O1a O    21.4200  -14.9800
            9   C6a C    26.2500  -16.3800
            10  O1a O    25.0600  -18.4800
            11  C1b C    18.9700  -16.3800
            12  O1a O    20.1600  -18.4800
            13  O6a O    26.2500  -14.9800
            14  O6a O    27.4400  -17.0800 #-
            15  O1a O    17.7800  -17.0100
            16  Z   Ca   30.0300  -17.3600 #2+
            17  C1c C    22.6100  -17.0800
            18  C1c C    23.8700  -16.3800
            19  C1c C    25.0600  -17.0800
            20  C6a C    26.2500  -16.3800
            21  O6a O    26.2500  -14.9800
            22  O6a O    27.4400  -17.0800 #-
            23  O1a O    25.0600  -18.4800
            24  O1a O    23.8000  -14.9800
            25  C1c C    21.4200  -16.3800
            26  C1c C    20.1600  -17.0800
            27  C1b C    18.9700  -16.3800
            28  O1a O    17.7800  -17.0100
            29  O1a O    20.1600  -18.4800
            30  O1a O    21.4200  -14.9800
            31  O1a O    22.6100  -18.4800
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Up
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    7  12 1 #Down
            12    9  13 2
            13    9  14 1
            14   11  15 1
            15   17  18 1
            16   17  25 1
            17   17  31 1 #Up
            18   18  19 1
            19   18  24 1 #Up
            20   25  26 1
            21   25  30 1 #Up
            22   19  20 1
            23   19  23 1
            24   26  27 1
            25   26  29 1 #Down
            26   20  21 2
            27   20  22 1
            28   27  28 1
BRACKET     1    16.3800  -19.2500   16.3800  -13.2300
            1    28.4900  -13.2300   28.4900  -19.2500
            1  2
 ORIGINAL  1    1   2   5   9  13  14  10   6   3   7  11  15  12   8   4
 REPEAT    1   17  18  19  20  21  22  23  24  25  26  27  28  29  30  31

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