| | COMPOUND: C18363 | |
Entry |
|
Name |
|
Formula |
C17H20O5S
|
Exact mass |
336.1031
|
Mol weight |
336.4027
|
Structure |
|
Remark |
|
Brite |
Animal drugs in Japan [BR:br08331]
91 Agents affecting nervous system
913 Antipyretics, analgesics and antiinflammatory
9139 Other antipyretics, analgesics and antiinflammatory
C18363 Firocoxib
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01922 Selective COX2 inhibitor
DG01907 Anti-inflammatory drug, coxibs
D03712 Firocoxib
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D03712 Firocoxib (USAN/INN)
|
Other DBs |
|
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
|
|
» Japanese version
|
|