KEGG   DRUG: Ibufenac
Entry
D01963                      Drug                                   
Name
Ibufenac (JAN/USAN/INN);
Dytransin (TN)
Formula
C12H16O2
Exact mass
192.115
Mol weight
192.2542
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
   DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
Efficacy
Analgesic, Anti-inflammatory
Comment
Nonsteroidal anti-inflammatory drug (NSAID)
Acetic acid derivative
Interaction
Brite
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
     D01963  Ibufenac
Other DBs
CAS: 1553-60-2
PubChem: 7849025
ChEBI: 76158
LigandBox: D01963
NIKKAJI: J7.514K
KCF data

ATOM        14
            1   C8x C    19.9955  -16.6590
            2   C8y C    19.9955  -18.0589
            3   C8x C    21.2078  -18.7589
            4   C8x C    22.4201  -18.0589
            5   C8y C    22.4201  -16.6590
            6   C8x C    21.2078  -15.9591
            7   C1b C    18.7831  -18.7589
            8   C1c C    17.5708  -18.0589
            9   C1a C    16.3585  -18.7589
            10  C1a C    17.5708  -16.6590
            11  C1b C    23.6343  -15.9591
            12  C6a C    24.8466  -16.6590
            13  O6a O    26.0589  -15.9591
            14  O6a O    24.8466  -18.0589
BOND        14
            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     2   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 1
            11    5  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2

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