KEGG   DRUG: Tolmetin sodium
Entry
D00158                      Drug                                   
Name
Tolmetin sodium (JAN/USP);
Tolmetin sodium dihydrate;
Tolectin (TN)
Product
  Generic
Formula
C15H14NO3. 2H2O. Na
Exact mass
315.1083
Mol weight
315.30
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
Remark
ATC code: M01AB03 M02AA21
Chemical structure group: DG00747
Product (DG00747): D00158<US>
Efficacy
Anti-inflammatory, COX inhibitor
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Structure map
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AB Acetic acid derivatives and related substances
     M01AB03 Tolmetin
      D00158  Tolmetin sodium (JAN/USP) <US>
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA21 Tolmetin
      D00158  Tolmetin sodium (JAN/USP) <US>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Tolmetin
    D00158  Tolmetin sodium (JAN/USP)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01906  Anti-inflammatory drug, acetic acid derivatives
    DG00747  Tolmetin
     D00158  Tolmetin sodium
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   D00158  Tolmetin sodium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D00158  Tolmetin sodium (JAN/USP) <US>
    PTGS2 (COX2)
     D00158  Tolmetin sodium (JAN/USP) <US>
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01906  Anti-inflammatory drug, acetic acid derivatives
    DG00747  Tolmetin
Other DBs
CAS: 64490-92-2
PubChem: 7847226
ChEBI: 72014
LigandBox: D00158
NIKKAJI: J2.206.255G
LinkDB
KCF data

ATOM        22
            1   C8y C    21.0700  -19.7400
            2   C5a C    19.8100  -19.1800
            3   N4y N    22.1200  -18.9000
            4   C8x C    21.5600  -21.0700
            5   C8y C    18.5500  -19.8100
            6   O5a O    19.8100  -17.7800
            7   C8y C    23.3100  -19.6700
            8   C1a C    22.1200  -17.4300
            9   C8x C    22.8900  -21.0700
            10  C8x C    17.3600  -19.1100
            11  C8x C    18.5500  -21.2100
            12  C1b C    24.6400  -19.1100
            13  C8x C    16.1700  -19.8100
            14  C8x C    17.3600  -21.9100
            15  C6a C    25.6900  -19.8100
            16  C8y C    16.1700  -21.2100
            17  O6a O    27.1600  -19.1800 #-
            18  O6a O    25.6900  -21.2100
            19  C1a C    14.9800  -21.9100
            20  Z   Na   29.5400  -19.2500 #+
            21  O0  O    31.2200  -21.7000
            22  O0  O    31.2200  -21.7000
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    7  12 1
            12   10  13 2
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19    7   9 2
            20   14  16 2
BRACKET     1    29.1200  -22.6100   29.1200  -20.6500
            1    31.8500  -20.6500   31.8500  -22.6100
            1  2
 ORIGINAL  1   21
 REPEAT    1   22

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