KEGG   DRUG: Aluminoparaaminosalicylate calcium hydrate
Entry
D01643                      Drug                                   
Name
Aluminoparaaminosalicylate calcium hydrate (JAN);
Aluminoparaaminosalicylate calcium pentahydrate;
Aluminoparaaminosalicylate calcium;
Alumino nippas calcium (TN)
Formula
(C7H5NO3)2. Al. H2O. OH. 5H2O. Ca
Exact mass
494.0641
Mol weight
494.3976
Structure
Simcomp
Class
Antibacterial
 DG01966  Antitubercular
Remark
Therapeutic category: 6221
Chemical structure group: DG01873
Product (DG01873): D03368<JP> D01643<JP>
Efficacy
Antibacterial (tuberculostatic)
Comment
Paraaminosalicylic acid derivative
Interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   622  Tuberculosis preparations
    6221  P-aminosalicylates
     D01643  Aluminoparaaminosalicylate calcium hydrate (JAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01966  Antitubercular
   DG01873  Para-aminosalicylate
    D01643  Aluminoparaaminosalicylate calcium hydrate
Antimicrobials [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Aminosalicylic acid
    D01643  Aluminoparaaminosalicylate calcium hydrate (JAN) <JP>
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: 7848706
LigandBox: D01643
KCF data

ATOM        31
            1   O6a O    26.5311  -17.2941
            2   O1a O    27.7440  -19.3950 #-
            3   C8y C    28.9570  -18.6947
            4   C8y C    28.9570  -17.2941
            5   C6a C    27.7440  -16.5938
            6   C8x C    30.1699  -19.3950
            7   C8y C    31.3829  -18.6947
            8   C8x C    31.3829  -17.2941
            9   C8x C    30.1699  -16.5938
            10  N1a N    32.5850  -19.3888
            11  O6a O    27.7440  -15.1933 #-
            12  O0  O    24.7858  -16.2437 #-
            13  O0  O    25.2760  -20.2353
            14  C8y C    17.8530  -17.2941
            15  C8x C    17.8530  -18.6947
            16  C8x C    19.0659  -19.3950
            17  C8y C    20.2789  -18.6947
            18  C8y C    20.2789  -17.2941
            19  C8x C    19.0659  -16.5938
            20  C6a C    21.4918  -19.3950
            21  O6a O    22.7047  -18.6947
            22  O1a O    21.4918  -16.5938 #-
            23  N1a N    16.6401  -16.5938
            24  O6a O    21.4918  -20.7955 #-
            25  Z   Al   24.0856  -17.9944 #3+
            26  Z   Ca   36.4106  -16.2440 #2+
            27  O0  O    37.5200  -18.3400
            28  O0  O    37.5200  -18.3400
            29  O0  O    37.5200  -18.3400
            30  O0  O    37.5200  -18.3400
            31  O0  O    37.5200  -18.3400
BOND        22
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     1   5 2
            5     3   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     4   9 2
            10    7  10 1
            11    5  11 1
            12   14  15 2
            13   15  16 1
            14   16  17 2
            15   17  18 1
            16   18  19 2
            17   14  19 1
            18   17  20 1
            19   20  21 2
            20   18  22 1
            21   14  23 1
            22   20  24 1
BRACKET     1    14.9100  -21.3500   14.9100  -13.2300
            1    34.5100  -13.2300   34.5100  -21.3500
            1  1 #GEN
            2    35.4900  -19.3900   35.4900  -17.4300
            2    38.1500  -17.4300   38.1500  -19.3900
            2  5
 ORIGINAL  2   27
 REPEAT    2   28  29  30  31

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