KEGG   COMPOUND: C01690
Entry
C01690                      Compound                               
Name
Diclofenac
Formula
C14H11Cl2NO2
Exact mass
295.0167
Mol weight
296.14
Structure
Remark
Same as: D07816
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AX Other dermatologicals
     D11AX18 Diclofenac
      D07816  Diclofenac (USAN/INN)
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AB Acetic acid derivatives and related substances
     M01AB05 Diclofenac
      D07816  Diclofenac (USAN/INN)
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA15 Diclofenac
      D07816  Diclofenac (USAN/INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC03 Diclofenac
      D07816  Diclofenac (USAN/INN)
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Diclofenac
    D07816  Diclofenac (USAN/INN)
 Ophthalmic Agents
  Ophthalmic Anti-inflammatories
   Nonsteroidal Anti-Inflammatory Drugs, Ophthalmic
    Diclofenac
     D07816  Diclofenac (USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Diclofenac
    D07816  Diclofenac (USAN/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01906  Anti-inflammatory drug, acetic acid derivatives
    DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
     DG00441  Diclofenac
      D07816  Diclofenac
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00441  Diclofenac
    D07816  Diclofenac
 Transporter inhibitor
  DG02866  SLC22A8 inhibitor
   DG00441  Diclofenac
    D07816  Diclofenac
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07816  Diclofenac (USAN/INN)
    PTGS2 (COX2)
     D07816  Diclofenac (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07816
 Drug transporters
  D07816
Other DBs
CAS: 15307-86-5
PubChem: 4831
ChEBI: 47381
PDB-CCD: DIF[PDBj]
NIKKAJI: J8.557J
KCF data

ATOM        19
            1   C8x C    26.2972  -26.1573
            2   C8x C    26.2972  -27.5565
            3   C8x C    27.5089  -28.2561
            4   C8x C    28.7206  -27.5565
            5   C8y C    28.7206  -26.1573
            6   C8y C    27.5089  -25.4578
            7   C1b C    29.9510  -25.4468
            8   C6a C    31.1554  -26.1420
            9   O6a O    32.3370  -25.4597
            10  O6a O    31.1558  -27.5561
            11  N1b N    27.5089  -24.0588
            12  C8y C    26.2804  -23.3494
            13  C8y C    26.2807  -21.9600
            14  C8x C    25.0692  -21.2602
            15  C8x C    23.8573  -21.9595
            16  C8x C    23.8570  -23.3489
            17  C8y C    25.0686  -24.0487
            18  X   Cl   27.5049  -21.2534
            19  X   Cl   25.0686  -25.4575
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    6  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   13  18 1
            20   17  19 1

» Japanese version

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Chemical substance (21)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (15)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (21)   

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