KEGG   DRUG: Calcium ascorbate
Entry
D02293                      Drug                                   
Name
Calcium ascorbate (USP)
Formula
(C6H7O6)2. 2H2O. Ca
Exact mass
426.0322
Mol weight
426.3409
Structure
Simcomp
Remark
ATC code: A11GB01
Chemical structure group: DG00126
Product (DG00126): D00018<JP/US>
Efficacy
Supplement (vitamin C)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11G ASCORBIC ACID (VITAMIN C), INCL. COMBINATIONS
    A11GB Ascorbic acid (vitamin C), combinations
     A11GB01 Ascorbic acid (vit C) and calcium
      D02293  Calcium ascorbate (USP)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  38 Vitamin C based drugs
   D02293  Calcium ascorbate (USP)
  45 Protein and amino acid based drugs
   D02293  Calcium ascorbate (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Ascorbic acid
    D02293  Calcium ascorbate (USP)
Other DBs
CAS: 5743-28-2
PubChem: 7849352
LigandBox: D02293
NIKKAJI: J203.669J
KCF data

ATOM        27
            1   C2y C    13.6902  -15.3857
            2   C1y C    13.2543  -14.0545
            3   O7x O    14.3905  -13.2282
            4   C7x C    15.5267  -14.0545
            5   C2y C    15.0909  -15.3857
            6   O6a O    16.8594  -13.6234
            7   O1a O    15.9129  -16.5198
            8   O1a O    12.8684  -16.5198 #-
            9   C1c C    12.0490  -13.3484
            10  C1b C    10.8394  -14.0487
            11  O1a O     9.6298  -13.3484
            12  O1a O    12.0528  -11.9478
            13  Z   Ca   19.1583  -14.3246 #2+
            14  O0  O    23.4805  -14.1832
            15  C2y C    13.6902  -15.3857
            16  C2y C    15.0909  -15.3857
            17  O1a O    15.9129  -16.5198
            18  C7x C    15.5267  -14.0545
            19  O6a O    16.8594  -13.6234
            20  O7x O    14.3905  -13.2282
            21  C1y C    13.2543  -14.0545
            22  C1c C    12.0490  -13.3484
            23  C1b C    10.8394  -14.0487
            24  O1a O     9.6298  -13.3484
            25  O1a O    12.0528  -11.9478
            26  O1a O    12.8684  -16.5198 #-
            27  O0  O    23.4805  -14.1832
BOND        24
            1     5   1 2
            2     4   6 2
            3     5   7 1
            4     1   8 1
            5     2   9 1
            6     1   2 1
            7     9  10 1
            8     2   3 1
            9    10  11 1
            10    3   4 1
            11    9  12 1 #Down
            12    4   5 1
            13   16  15 2
            14   18  19 2
            15   16  17 1
            16   15  26 1
            17   21  22 1
            18   15  21 1
            19   22  23 1
            20   21  20 1
            21   23  24 1
            22   20  18 1
            23   22  25 1 #Down
            24   18  16 1
BRACKET     1     8.4000  -17.5700    8.4000  -11.0600
            1    17.6400  -11.0600   17.6400  -17.5700
            1  2
 ORIGINAL  1    1   5   7   4   6   3   2  13   9  10  11  12   8
 REPEAT    1   16  17  18  19  20  21  22  23  24  25  26  27  28
            2    21.9100  -15.1200   21.9100  -13.2300
            2    24.0100  -13.2300   24.0100  -15.1200
            2  2
 ORIGINAL  2   15
 REPEAT    2   29

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Drug (3)   
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   LigandBox (1)   
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Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
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