| Entry |
|
|---|
| Name |
Salcolex (USAN);
Salcolex tetrahydrate |
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| Formula |
(C7H5O3. C5H14NO)2. SO4. 4H2O. Mg
|
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| Exact mass |
674.2418
|
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| Mol weight |
675.00
|
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| Structure |
|
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| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01909 Anti-inflammatory drug, salicylic acid derivatives
|
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| Efficacy |
Analgesic, Anti-inflammatory, Antipyretic |
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01909 Anti-inflammatory drug, salicylic acid derivatives
D05788 Salcolex
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 44
1 O1d O 38.8500 -17.4300 #-
2 S4a S 40.2500 -17.4300
3 O1d O 40.2500 -18.8300
4 O1d O 41.6500 -17.4300 #-
5 O1d O 40.2500 -16.0300
6 Z Mg 43.9513 -16.6250 #2+
7 O0 O 45.0800 -18.5500
8 C1a C 25.6200 -18.2000
9 N1d N 26.8100 -17.5000 #+
10 C1b C 28.0700 -18.2000
11 C1b C 29.2600 -17.5000
12 O1a O 30.4500 -18.2000
13 C1a C 26.8100 -16.1000
14 C1a C 26.8100 -18.9000
15 C8x C 32.6200 -18.0600
16 C8x C 32.6200 -19.4600
17 C8x C 33.8100 -20.1600
18 C8x C 35.0700 -19.4600
19 C8y C 35.0700 -18.0600
20 C8y C 33.8100 -17.3600
21 C6a C 33.8100 -15.9600
22 O6a O 32.6200 -15.2600
23 O6a O 35.0000 -15.2600 #-
24 O1a O 36.2600 -17.3600
25 O0 O 45.0800 -18.5500
26 O0 O 45.0800 -18.5500
27 O0 O 45.0800 -18.5500
28 C1a C 25.6200 -18.2000
29 N1d N 26.8100 -17.5000 #+
30 C1b C 28.0700 -18.2000
31 C1b C 29.2600 -17.5000
32 O1a O 30.4500 -18.2000
33 C1a C 26.8100 -16.1000
34 C1a C 26.8100 -18.9000
35 C8x C 32.6200 -18.0600
36 C8x C 32.6200 -19.4600
37 C8x C 33.8100 -20.1600
38 C8x C 35.0700 -19.4600
39 C8y C 35.0700 -18.0600
40 C8y C 33.8100 -17.3600
41 C6a C 33.8100 -15.9600
42 O6a O 32.6200 -15.2600
43 O6a O 35.0000 -15.2600 #-
44 O1a O 36.2600 -17.3600
BOND 36
1 1 2 1
2 2 3 2
3 2 4 1
4 2 5 2
5 8 9 1
6 9 10 1
7 10 11 1
8 11 12 1
9 9 13 1
10 9 14 1
11 15 16 2
12 16 17 1
13 17 18 2
14 18 19 1
15 19 20 2
16 15 20 1
17 20 21 1
18 21 22 2
19 21 23 1
20 19 24 1
21 28 29 1
22 29 30 1
23 30 31 1
24 31 32 1
25 29 33 1
26 29 34 1
27 35 36 2
28 36 37 1
29 37 38 2
30 38 39 1
31 39 40 2
32 35 40 1
33 40 41 1
34 41 42 2
35 41 43 1
36 39 44 1
BRACKET 1 43.1200 -19.4600 43.1200 -17.7100
1 45.5700 -17.7100 45.5700 -19.4600
1 4
ORIGINAL 1 7
REPEAT 1 25 26 27
2 23.8000 -20.6500 23.8000 -14.4900
2 37.5200 -14.4900 37.5200 -20.6500
2 2
ORIGINAL 2 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23
2 24
REPEAT 2 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43
2 44
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