KEGG   COMPOUND: C18363
Entry
C18363                      Compound                               

Name
Firocoxib
Formula
C17H20O5S
Exact mass
336.1031
Mol weight
336.4027
Structure
Remark
Same as: D03712
Brite
Target-based classification of compounds [BR:br08010]
 Enzymes
  Oxidoreductases
   prostaglandin-endoperoxide synthase 1
    C18363  Firocoxib
   prostaglandin-endoperoxide synthase 2
    C18363  Firocoxib
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D03712  Firocoxib (USAN/INN)
Animal drugs in Japan [BR:br08331]
 91  Agents affecting nervous system
  913  Antipyretics, analgesics and antiinflammatory
   9139  Other antipyretics, analgesics and antiinflammatory
    C18363  Firocoxib
Other DBs
CAS: 189954-96-9
PubChem: 124489037
ChEBI: 76136
ChEMBL: CHEMBL69998
LinkDB
KCF data

ATOM        23
            1   C8y C    25.6200  -19.4600
            2   C8y C    23.1700  -18.0600
            3   C8x C    23.1700  -19.4600
            4   C8x C    24.3600  -20.1600
            5   C8x C    25.6200  -18.0600
            6   C8x C    24.3600  -17.3600
            7   S4a S    21.9800  -17.3600
            8   C1a C    20.7200  -16.6600
            9   O3c O    22.6800  -16.1700
            10  O3c O    21.2800  -18.5500
            11  C2y C    26.8100  -20.1600
            12  C2y C    26.8100  -21.5600
            13  C7x C    28.1400  -21.9800
            14  O7x O    28.9800  -20.8600
            15  C1z C    28.1400  -19.7400
            16  O2a O    25.6900  -22.4000
            17  C1b C    24.4300  -21.8400
            18  C1y C    23.3100  -22.6800
            19  C1a C    29.4000  -19.0400
            20  C1a C    27.4400  -18.5500
            21  O6a O    28.5600  -23.3100
            22  C1x C    21.9800  -23.0300
            23  C1x C    22.9600  -24.0100
BOND        25
            1     2   3 2
            2     3   4 1
            3     4   1 2
            4     1   5 1
            5     5   6 2
            6     2   6 1
            7     2   7 1
            8     7   8 1
            9     7   9 2
            10    7  10 2
            11    1  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   11  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   15  19 1
            21   15  20 1
            22   13  21 2
            23   18  22 1
            24   18  23 1
            25   22  23 1

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