KEGG   DRUG: Calcium para-aminosalicylate
Entry
D03368                      Drug                                   
Name
Calcium para-aminosalicylate (JP18);
Nippas calcium (TN)
Formula
(C7H5NO3. Ca)2. 7H2O
Exact mass
508.053
Mol weight
508.502
Structure
Simcomp
Class
Antibacterial
 DG01966  Antitubercular
Remark
Therapeutic category: 6221
ATC code: J04AA03
Chemical structure group: DG01873
Product (DG01873): D03368<JP> D01643<JP>
Efficacy
Antibacterial (tuberculostatic)
Comment
Paraaminosalicylic acid derivative
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J04 ANTIMYCOBACTERIALS
   J04A DRUGS FOR TREATMENT OF TUBERCULOSIS
    J04AA Aminosalicylic acid and derivatives
     J04AA03 Calcium aminosalicylate
      D03368  Calcium para-aminosalicylate (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   622  Tuberculosis preparations
    6221  P-aminosalicylates
     D03368  Calcium para-aminosalicylate (JP18)
Drug groups [BR:br08330]
 Antibacterial
  DG01966  Antitubercular
   DG01873  Para-aminosalicylate
    D03368  Calcium para-aminosalicylate
Antimicrobials [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Aminosalicylic acid
    D03368  Calcium para-aminosalicylate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D03368  Calcium para-aminosalicylate hydrate
  D03368  Calcium para-aminosalicylate granules
Drug groups [BR:br08330]
 Antibacterial
  DG01966  Antitubercular
   DG01873  Para-aminosalicylate
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Aminosalicylic acid
    DG01873  Para-aminosalicylate
Other DBs
PubChem: 17397517
LigandBox: D03368
LinkDB
KCF data

ATOM        31
            1   C8x C    22.2091  -18.4354
            2   C8y C    22.2020  -17.0354
            3   C8y C    20.9861  -16.3415
            4   C8x C    19.7772  -17.0477
            5   C8x C    19.7843  -18.4477
            6   C8y C    21.0002  -19.1415
            7   C6a C    20.9790  -14.9415
            8   O6a O    22.1879  -14.2354 #-
            9   O6a O    19.7631  -14.2477
            10  O1a O    23.4109  -16.3293 #-
            11  N1a N    21.0073  -20.5415
            12  Z   Ca   24.6909  -14.2638 #2+
            13  O0  O    31.1295  -17.4456
            14  O0  O    31.1295  -17.4456
            15  O0  O    31.1295  -17.4456
            16  O0  O    31.1295  -17.4456
            17  O0  O    31.1295  -17.4456
            18  O0  O    31.1295  -17.4456
            19  O0  O    31.1295  -17.4456
            20  C8x C    22.2091  -18.4354
            21  C8y C    22.2020  -17.0354
            22  O1a O    23.4109  -16.3293 #-
            23  C8y C    20.9861  -16.3415
            24  C6a C    20.9790  -14.9415
            25  O6a O    22.1879  -14.2354 #-
            26  O6a O    19.7631  -14.2477
            27  C8x C    19.7772  -17.0477
            28  C8x C    19.7843  -18.4477
            29  C8y C    21.0002  -19.1415
            30  N1a N    21.0073  -20.5415
            31  Z   Ca   24.6909  -14.2638 #2+
BOND        22
            1     3   7 1
            2     7   8 1
            3     7   9 2
            4     1   2 2
            5     2  10 1
            6     2   3 1
            7     6  11 1
            8     3   4 2
            9     4   5 1
            10    5   6 2
            11    6   1 1
            12   23  24 1
            13   24  25 1
            14   24  26 2
            15   20  21 2
            16   21  22 1
            17   21  23 1
            18   29  30 1
            19   23  27 2
            20   27  28 1
            21   28  29 2
            22   29  20 1
BRACKET     1    29.2600  -18.4800   29.2600  -16.4500
            1    31.6400  -16.4500   31.6400  -18.4800
            1  7
 ORIGINAL  1   13
 REPEAT    1   14  15  16  17  18  19
            2    18.9700  -21.7000   18.9700  -12.9500
            2    26.5300  -12.9500   26.5300  -21.7000
            2  2
 ORIGINAL  2    1   2  10   3   7   8   9   4   5   6  11  12
 REPEAT    2   20  21  22  23  24  25  26  27  28  29  30  31

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