KEGG   DRUG: Magnesium salicylate
Entry
D00827                      Drug                                   

Name
Magnesium salicylate (USP);
Magnesium salicylate tetrahydrate;
Magan (TN)
Formula
C14H10MgO6. 4H2O
Exact mass
370.075
Mol weight
370.5917
Structure
Simcomp
Class
Anti-inflammatory
 DG01909  Anti-inflammatory drug, salicylic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01909  Anti-inflammatory drug, salicylic acid derivatives
Efficacy
Analgesic, Antipyretic, Antirheumatic, COX inhibitor
Comment
Salicylic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D00827  Magnesium salicylate (USP)
    PTGS2 (COX2)
     D00827  Magnesium salicylate (USP)
Other DBs
CAS: 18917-95-8
PubChem: 7847892
ChEMBL: CHEMBL3989810
LinkDB
KCF data

ATOM        25
            1   C8y C    26.1348  -17.6572
            2   C7a C    24.9450  -16.9690
            3   C8y C    26.1057  -19.0337
            4   C8x C    27.3421  -16.9983
            5   O7a O    23.7552  -17.6572
            6   O6a O    24.9450  -15.5926
            7   C8x C    27.2837  -19.7452
            8   O1a O    24.9041  -19.7045
            9   C8x C    28.5143  -17.7156
            10  Z   Mg   22.0113  -16.7532
            11  C8x C    28.4853  -19.0861
            12  O7a O    20.6406  -17.6865
            13  C7a C    19.4509  -18.3688
            14  C8y C    19.4509  -19.7452
            15  O6a O    18.2669  -17.6865
            16  C8y C    20.6406  -20.4334
            17  C8x C    18.2610  -20.4334
            18  C8x C    20.6406  -21.8099
            19  O1a O    21.8246  -19.7452
            20  C8x C    18.2610  -21.8099
            21  C8x C    19.4509  -22.4981
            22  O0  O    32.2339  -18.3489
            23  O0  O    32.2339  -18.3489
            24  O0  O    32.2339  -18.3489
            25  O0  O    32.2339  -18.3489
BOND        22
            1     1   4 2
            2     2   5 1
            3     2   6 2
            4     3   7 2
            5     3   8 1
            6     4   9 1
            7     5  10 1
            8     7  11 1
            9    10  12 1
            10   12  13 1
            11   13  14 1
            12   13  15 2
            13   14  16 2
            14   14  17 1
            15   16  18 1
            16   16  19 1
            17   17  20 2
            18   18  21 2
            19    9  11 2
            20   20  21 1
            21    1   2 1
            22    1   3 1
BRACKET     1    30.3100  -19.3200   30.3100  -17.2900
            1    32.6900  -17.2900   32.6900  -19.3200
            1  4
 ORIGINAL  1   22
 REPEAT    1   23  24  25

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