KEGG   DRUG: Salcolex
Entry
D05788                      Drug                                   
Name
Salcolex (USAN);
Salcolex tetrahydrate
Formula
(C7H5O3. C5H14NO)2. SO4. 4H2O. Mg
Exact mass
674.2418
Mol weight
674.9958
Structure
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01909  Anti-inflammatory drug, salicylic acid derivatives
Efficacy
Analgesic, Anti-inflammatory, Antipyretic
Interaction
Brite
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01909  Anti-inflammatory drug, salicylic acid derivatives
    D05788  Salcolex
Other DBs
CAS: 28038-04-2
PubChem: 47207449
LigandBox: D05788
LinkDB
KCF data

ATOM        44
            1   O1d O    38.8500  -17.4300 #-
            2   S4a S    40.2500  -17.4300
            3   O1d O    40.2500  -18.8300
            4   O1d O    41.6500  -17.4300 #-
            5   O1d O    40.2500  -16.0300
            6   Z   Mg   43.9513  -16.6250 #2+
            7   O0  O    45.0800  -18.5500
            8   C1a C    25.6200  -18.2000
            9   N1d N    26.8100  -17.5000 #+
            10  C1b C    28.0700  -18.2000
            11  C1b C    29.2600  -17.5000
            12  O1a O    30.4500  -18.2000
            13  C1a C    26.8100  -16.1000
            14  C1a C    26.8100  -18.9000
            15  C8x C    32.6200  -18.0600
            16  C8x C    32.6200  -19.4600
            17  C8x C    33.8100  -20.1600
            18  C8x C    35.0700  -19.4600
            19  C8y C    35.0700  -18.0600
            20  C8y C    33.8100  -17.3600
            21  C6a C    33.8100  -15.9600
            22  O6a O    32.6200  -15.2600
            23  O6a O    35.0000  -15.2600 #-
            24  O1a O    36.2600  -17.3600
            25  O0  O    45.0800  -18.5500
            26  O0  O    45.0800  -18.5500
            27  O0  O    45.0800  -18.5500
            28  C1a C    25.6200  -18.2000
            29  N1d N    26.8100  -17.5000 #+
            30  C1b C    28.0700  -18.2000
            31  C1b C    29.2600  -17.5000
            32  O1a O    30.4500  -18.2000
            33  C1a C    26.8100  -16.1000
            34  C1a C    26.8100  -18.9000
            35  C8x C    32.6200  -18.0600
            36  C8x C    32.6200  -19.4600
            37  C8x C    33.8100  -20.1600
            38  C8x C    35.0700  -19.4600
            39  C8y C    35.0700  -18.0600
            40  C8y C    33.8100  -17.3600
            41  C6a C    33.8100  -15.9600
            42  O6a O    32.6200  -15.2600
            43  O6a O    35.0000  -15.2600 #-
            44  O1a O    36.2600  -17.3600
BOND        36
            1     1   2 1
            2     2   3 2
            3     2   4 1
            4     2   5 2
            5     8   9 1
            6     9  10 1
            7    10  11 1
            8    11  12 1
            9     9  13 1
            10    9  14 1
            11   15  16 2
            12   16  17 1
            13   17  18 2
            14   18  19 1
            15   19  20 2
            16   15  20 1
            17   20  21 1
            18   21  22 2
            19   21  23 1
            20   19  24 1
            21   28  29 1
            22   29  30 1
            23   30  31 1
            24   31  32 1
            25   29  33 1
            26   29  34 1
            27   35  36 2
            28   36  37 1
            29   37  38 2
            30   38  39 1
            31   39  40 2
            32   35  40 1
            33   40  41 1
            34   41  42 2
            35   41  43 1
            36   39  44 1
BRACKET     1    43.1200  -19.4600   43.1200  -17.7100
            1    45.5700  -17.7100   45.5700  -19.4600
            1  4
 ORIGINAL  1    7
 REPEAT    1   25  26  27
            2    23.8000  -20.6500   23.8000  -14.4900
            2    37.5200  -14.4900   37.5200  -20.6500
            2  2
 ORIGINAL  2    8   9  10  11  12  13  14  15  16  17  18  19  20  21  22  23
            2   24
 REPEAT    2   28  29  30  31  32  33  34  35  36  37  38  39  40  41  42  43
            2   44

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