| Entry |
|
|---|
| Name |
Ulodesine succinate (USAN);
Ulodesine hemisuccinate monohydrate |
|---|
| Formula |
(C12H16N4O3)2. C4H6O4. 2H2O
|
|---|
| Exact mass |
682.2922
|
|---|
| Mol weight |
682.68
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Gout suppressant |
|---|
| Comment |
Treatment of gout
|
|---|
| Target |
|
|---|
| Pathway |
| hsa00760 | Nicotinate and nicotinamide metabolism |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Pentosyltransferases
PNP
D10432 Ulodesine succinate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 48
1 C8y C 21.6300 -20.4400
2 C8y C 21.6300 -21.8400
3 N5x N 22.8900 -22.5400
4 C8x C 24.0800 -21.8400
5 N4x N 24.0800 -20.4400
6 C8y C 22.8900 -19.7400
7 N4x N 20.3000 -20.0200
8 C8x C 19.5300 -21.1400
9 C8y C 20.3000 -22.2600
10 O5x O 22.8900 -18.3400
11 C1b C 19.8800 -23.5900
12 N1y N 18.5500 -23.8700
13 C1x C 17.5000 -22.9600
14 C1y C 16.2400 -23.6600
15 C1y C 16.5200 -25.0600
16 C1x C 17.9900 -25.2000
17 C1b C 14.9800 -23.1000
18 O1a O 13.8600 -23.9400
19 O1a O 15.6100 -26.1100
20 O6a O 30.1000 -22.0500
21 C6a C 31.3600 -21.3500
22 C1b C 32.5500 -22.0500
23 C1b C 33.7400 -21.3500
24 C6a C 34.9300 -22.0500
25 O6a O 36.1900 -21.3500
26 O6a O 31.3600 -19.9500
27 O6a O 34.9300 -23.4500
28 O0 O 39.5500 -21.3500
29 O0 O 39.5500 -22.6100
30 C8y C 21.6300 -20.4400
31 C8y C 21.6300 -21.8400
32 N5x N 22.8900 -22.5400
33 C8x C 24.0800 -21.8400
34 N4x N 24.0800 -20.4400
35 C8y C 22.8900 -19.7400
36 O5x O 22.8900 -18.3400
37 C8y C 20.3000 -22.2600
38 C8x C 19.5300 -21.1400
39 N4x N 20.3000 -20.0200
40 C1b C 19.8800 -23.5900
41 N1y N 18.5500 -23.8700
42 C1x C 17.5000 -22.9600
43 C1y C 16.2400 -23.6600
44 C1y C 16.5200 -25.0600
45 C1x C 17.9900 -25.2000
46 O1a O 15.6100 -26.1100
47 C1b C 14.9800 -23.1000
48 O1a O 13.8600 -23.9400
BOND 49
1 20 21 1
2 21 22 1
3 22 23 1
4 23 24 1
5 24 25 1
6 21 26 2
7 24 27 2
8 1 2 2
9 2 3 1
10 3 4 2
11 4 5 1
12 5 6 1
13 1 6 1
14 1 7 1
15 7 8 1
16 8 9 2
17 2 9 1
18 6 10 2
19 9 11 1
20 11 12 1
21 12 13 1
22 13 14 1
23 14 15 1
24 15 16 1
25 12 16 1
26 14 17 1 #Up
27 17 18 1
28 15 19 1 #Down
29 30 31 2
30 31 32 1
31 32 33 2
32 33 34 1
33 34 35 1
34 30 35 1
35 30 39 1
36 39 38 1
37 38 37 2
38 31 37 1
39 35 36 2
40 37 40 1
41 40 41 1
42 41 42 1
43 42 43 1
44 43 44 1
45 44 45 1
46 41 45 1
47 43 47 1 #Up
48 47 48 1
49 44 46 1 #Down
BRACKET 1 11.4800 -28.2100 11.4800 -15.6800
1 27.3000 -15.6800 27.3000 -28.2100
1 2
ORIGINAL 1 1 2 3 4 5 6 10 9 8 7 11 12 13 14 15 16
1 19 17 18
REPEAT 1 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45
1 46 47 48
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|---|
