 | | DRUG: Choline magnesium trisalicylate | |
| Entry |
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| Name |
Choline magnesium trisalicylate;
Tricosal (TN) |
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| Formula |
(C7H5O3)3. C5H14NO. Mg
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| Exact mass |
539.1642
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| Mol weight |
539.8142
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| Structure |
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| Efficacy |
Analgesic, Anti-inflammatory, Antipyretic |
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| Other DBs |
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| KCF data |
ATOM 38
1 C8y C 13.9813 -15.8355
2 C8y C 15.1873 -16.5290
3 C8x C 12.7634 -16.5290
4 C6a C 13.9871 -14.4313
5 C8x C 15.1873 -17.9332
6 O1a O 16.3993 -15.8355
7 C8x C 12.7634 -17.9332
8 O6a O 12.7692 -13.7262
9 O6a O 15.1932 -13.7321 #-
10 C8x C 13.9813 -18.6382
11 C1a C 21.1157 -18.4663
12 N1d N 22.3271 -17.7669 #+
13 C1b C 23.5385 -18.4663
14 C1b C 24.7500 -17.7669
15 O1a O 25.9613 -18.4663
16 C1a C 22.3271 -16.3683
17 C1a C 22.3271 -19.1657
18 Z Mg 21.9800 -13.7200 #2+
19 C8y C 13.9813 -15.8355
20 C8y C 15.1873 -16.5290
21 C8x C 15.1873 -17.9332
22 C8x C 13.9813 -18.6382
23 C8x C 12.7634 -17.9332
24 C8x C 12.7634 -16.5290
25 O1a O 16.3993 -15.8355
26 C6a C 13.9871 -14.4313
27 O6a O 12.7692 -13.7262
28 O6a O 15.1932 -13.7321 #-
29 C8y C 13.9813 -15.8355
30 C8y C 15.1873 -16.5290
31 C8x C 15.1873 -17.9332
32 C8x C 13.9813 -18.6382
33 C8x C 12.7634 -17.9332
34 C8x C 12.7634 -16.5290
35 O1a O 16.3993 -15.8355
36 C6a C 13.9871 -14.4313
37 O6a O 12.7692 -13.7262
38 O6a O 15.1932 -13.7321 #-
BOND 36
1 11 12 1
2 12 13 1
3 13 14 1
4 14 15 1
5 12 16 1
6 12 17 1
7 1 2 2
8 1 3 1
9 1 4 1
10 2 5 1
11 2 6 1
12 3 7 2
13 4 8 2
14 4 9 1
15 5 10 2
16 7 10 1
17 19 20 2
18 19 24 1
19 19 26 1
20 20 21 1
21 20 25 1
22 24 23 2
23 26 27 2
24 26 28 1
25 21 22 2
26 23 22 1
27 29 30 2
28 29 34 1
29 29 36 1
30 30 31 1
31 30 35 1
32 34 33 2
33 36 37 2
34 36 38 1
35 31 32 2
36 33 32 1
BRACKET 1 11.8300 -19.1800 11.8300 -13.0200
1 17.6400 -13.0200 17.6400 -19.1800
1 3
ORIGINAL 1 1 2 5 10 7 3 6 4 8 9
REPEAT 1 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34
1 35 36 37 38
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