KEGG   DRUG: Salicylate meglumine
Entry
D05791                      Drug                                   

Name
Salicylate meglumine (USAN)
Formula
C7H17NO5. C7H6O3
Exact mass
333.1424
Mol weight
333.3343
Structure
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, Antirheumatic
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)
     D05791  Salicylate meglumine (USAN)
    PTGS2 (COX2)
     D05791  Salicylate meglumine (USAN)
Other DBs
CAS: 23277-50-1
PubChem: 47207452
LigandBox: D05791
LinkDB
KCF data

ATOM        23
            1   C8y C     3.6768   -6.7118
            2   C8y C     4.8996   -7.4098
            3   C8x C     2.4731   -7.4098
            4   C6a C     3.7403   -5.3226
            5   C8x C     4.8996   -8.8183
            6   O1a O     6.1033   -6.7118
            7   C8x C     2.4731   -8.8183
            8   O6a O     4.9503   -4.6247
            9   O6a O     2.5302   -4.6310
            10  C8x C     3.6768   -9.5290
            11  C1a C     9.8436   -6.8102
            12  N1b N    11.0547   -6.1114
            13  C1b C    12.2659   -6.8102
            14  C1c C    13.4769   -6.1114
            15  C1c C    14.6881   -6.8102
            16  C1c C    15.8993   -6.1114
            17  C1c C    17.1104   -6.8102
            18  C1b C    18.3215   -6.1580
            19  O1a O    19.5328   -6.8567
            20  O1a O    13.4769   -4.7139
            21  O1a O    14.6881   -8.2076
            22  O1a O    15.8993   -4.7139
            23  O1a O    17.1104   -8.2541
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    7  10 2
            11   16  17 1
            12   13  14 1
            13   17  18 1
            14   18  19 1
            15   14  15 1
            16   14  20 1 #Down
            17   12  13 1
            18   15  21 1 #Down
            19   15  16 1
            20   16  22 1 #Down
            21   11  12 1
            22   17  23 1 #Up

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