KEGG   DRUG: Parecoxib sodiumHelp
Entry
D03717                      Drug                                   

Name
Parecoxib sodium (USAN);
Dynastat (TN)
Formula
C19H17N2O4S. Na
Exact mass
392.0807
Mol weight
392.404
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01922  Selective COX2 inhibitor
   DG01907  Anti-inflammatory drug, coxibs
 DG01922  Selective COX2 inhibitor
  DG01907  Anti-inflammatory drug, coxibs
Remark
ATC code: M01AH04
Chemical structure group: DG00759
Efficacy
Analgesic, Anti-inflammatory, COX-2 inhibitor
Comment
Active form of prodrug: Valdecoxib [DR:D02709]
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AH Coxibs
     M01AH04 Parecoxib
      D03717  Parecoxib sodium (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D03717  Parecoxib sodium (USAN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D03717
Prodrugs [br08324.html]
 DG00759
BRITE hierarchy
Other DBs
CAS: 198470-85-8
PubChem: 17397808
ChEMBL: CHEMBL296913
LigandBox: D03717
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    37.7300  -18.5500
            2   C8y C    37.7300  -19.9500
            3   N5x N    39.0600  -20.3700
            4   O2x O    39.9000  -19.2500
            5   C8y C    39.0600  -18.1300
            6   C8y C    36.6100  -17.7100
            7   C8y C    34.1600  -16.3100
            8   C8x C    34.1600  -17.7100
            9   C8x C    35.3500  -18.4100
            10  C8x C    36.6100  -16.3100
            11  C8x C    35.3500  -15.6100
            12  S4a S    32.9700  -15.6100
            13  N1b N    31.7100  -14.9100 #-
            14  O3c O    33.6700  -14.4200
            15  O3c O    32.2700  -16.8000
            16  C5a C    30.5200  -15.6100
            17  C1b C    29.3300  -14.9100
            18  C1a C    28.1400  -15.6100
            19  O5a O    30.5200  -17.0100
            20  C8y C    36.6100  -20.7900
            21  C8x C    34.1600  -20.7900
            22  C8x C    34.1600  -22.1900
            23  C8x C    35.3500  -22.8900
            24  C8x C    36.6100  -22.1900
            25  C8x C    35.3500  -20.0900
            26  C1a C    39.4800  -16.8000
            27  Z   Na   31.5000  -12.7400 #+
BOND        28
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     9   6 2
            10    6  10 1
            11   10  11 2
            12    7  11 1
            13    7  12 1
            14   12  13 1
            15   12  14 2
            16   12  15 2
            17   13  16 1
            18   16  17 1
            19   17  18 1
            20   16  19 2
            21    2  20 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  20 1
            26   20  25 2
            27   21  25 1
            28    5  26 1

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