| Entry |
|
|---|
| Name |
Febuxostat hydrate (JAN);
Febuxostat hemihydrate |
|---|
| Product |
|
|---|
| Generic |
|
|---|
| Formula |
(C16H16N2O3S)2. H2O
|
|---|
| Exact mass |
650.1869
|
|---|
| Mol weight |
650.77
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01503 Xanthine dehydrogenase inhibitor
Musculo-skeletal system agent
DG03130 Xanthin oxidase inhibitor
|
|---|
| Remark |
| Therapeutic category: | 3949 |
| Product (DG02878): | D01206<JP/US> D11081<JP/US> |
|
|---|
| Efficacy |
Gout suppressant, Uric acid biosynthesis inhibitor, Xanthine oxidase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M04 ANTIGOUT PREPARATIONS
M04A ANTIGOUT PREPARATIONS
M04AA Preparations inhibiting uric acid production
M04AA03 Febuxostat
D11081 Febuxostat hydrate (JAN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
3 Agents affecting metabolism
39 Other agents affecting metabolism
394 Gout preparations
3949 Others
D11081 Febuxostat hydrate (JAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01503 Xanthine dehydrogenase inhibitor
DG02878 Febuxostat
D11081 Febuxostat hydrate
Musculo-skeletal system agent
DG03130 Xanthin oxidase inhibitor
DG02878 Febuxostat
D11081 Febuxostat hydrate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Xanthine dehydrogenase/oxidase
XDH
D11081 Febuxostat hydrate (JAN) <JP/US>
Drug groups [BR:br08330]
Cardiovascular agent
DG01503 Xanthine dehydrogenase inhibitor
DG02878 Febuxostat
Musculo-skeletal system agent
DG03130 Xanthin oxidase inhibitor
DG02878 Febuxostat
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 45
1 C8x C 16.2400 -15.8900
2 C8y C 16.2400 -17.2900
3 C8y C 17.4300 -17.9900
4 C8x C 18.6900 -17.2900
5 C8y C 18.6900 -15.8900
6 C8x C 17.4300 -15.1900
7 C8y C 19.8800 -15.1900
8 C3b C 17.4300 -19.3900
9 O2a O 15.0500 -17.9900
10 C1b C 13.7900 -17.2900
11 C1c C 12.6000 -17.9900
12 C1a C 11.4100 -17.2900
13 C1a C 12.6000 -19.3900
14 S2x S 21.2100 -15.6100
15 C8y C 22.0500 -14.4900
16 C8y C 21.2100 -13.3000
17 N5x N 19.8800 -13.7200
18 C1a C 21.6300 -11.9700
19 C6a C 23.4500 -14.4900
20 O6a O 24.1500 -15.6800
21 O6a O 24.1500 -13.3000
22 N3a N 17.4300 -20.7900
23 O0 O 28.7700 -17.0800
24 C8x C 16.2400 -15.8900
25 C8x C 17.4300 -15.1900
26 C8y C 18.6900 -15.8900
27 C8y C 19.8800 -15.1900
28 S2x S 21.2100 -15.6100
29 C8y C 22.0500 -14.4900
30 C8y C 21.2100 -13.3000
31 N5x N 19.8800 -13.7200
32 C1a C 21.6300 -11.9700
33 C6a C 23.4500 -14.4900
34 O6a O 24.1500 -15.6800
35 O6a O 24.1500 -13.3000
36 C8x C 18.6900 -17.2900
37 C8y C 17.4300 -17.9900
38 C3b C 17.4300 -19.3900
39 N3a N 17.4300 -20.7900
40 C8y C 16.2400 -17.2900
41 O2a O 15.0500 -17.9900
42 C1b C 13.7900 -17.2900
43 C1c C 12.6000 -17.9900
44 C1a C 11.4100 -17.2900
45 C1a C 12.6000 -19.3900
BOND 46
1 9 10 1
2 5 6 2
3 10 11 1
4 6 1 1
5 11 12 1
6 11 13 1
7 5 7 1
8 1 2 2
9 3 8 1
10 2 3 1
11 7 14 1
12 14 15 1
13 15 16 2
14 16 17 1
15 17 7 2
16 16 18 1
17 3 4 2
18 15 19 1
19 2 9 1
20 19 20 2
21 4 5 1
22 19 21 1
23 8 22 3
24 41 42 1
25 26 25 2
26 42 43 1
27 25 24 1
28 43 44 1
29 43 45 1
30 26 27 1
31 24 40 2
32 37 38 1
33 40 37 1
34 27 28 1
35 28 29 1
36 29 30 2
37 30 31 1
38 31 27 2
39 30 32 1
40 37 36 2
41 29 33 1
42 40 41 1
43 33 34 2
44 36 26 1
45 33 35 1
46 38 39 3
BRACKET 1 8.8900 -21.7000 8.8900 -10.6400
1 25.6200 -10.6400 25.6200 -21.7000
1 2
ORIGINAL 1 1 6 5 7 14 15 16 17 18 19 20 21 4 3 8 22
1 2 9 10 11 12 13
REPEAT 1 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39
1 40 41 42 43 44 45
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