| Entry |
|
|---|
| Name |
Magnesium salicylate (USP);
Magnesium salicylate tetrahydrate;
Magan (TN) |
|---|
| Formula |
C14H10MgO6. 4H2O
|
|---|
| Exact mass |
370.075
|
|---|
| Mol weight |
370.5917
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01909 Anti-inflammatory drug, salicylic acid derivatives
|
|---|
| Efficacy |
Analgesic, Antipyretic, Antirheumatic, COX inhibitor |
|---|
| Comment |
Salicylic acid derivative
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01909 Anti-inflammatory drug, salicylic acid derivatives
D00827 Magnesium salicylate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D00827 Magnesium salicylate (USP)
PTGS2 (COX2)
D00827 Magnesium salicylate (USP)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 25
1 C8y C 26.1348 -17.6572
2 C7a C 24.9450 -16.9690
3 C8y C 26.1057 -19.0337
4 C8x C 27.3421 -16.9983
5 O7a O 23.7552 -17.6572
6 O6a O 24.9450 -15.5926
7 C8x C 27.2837 -19.7452
8 O1a O 24.9041 -19.7045
9 C8x C 28.5143 -17.7156
10 Z Mg 22.0113 -16.7532
11 C8x C 28.4853 -19.0861
12 O7a O 20.6406 -17.6865
13 C7a C 19.4509 -18.3688
14 C8y C 19.4509 -19.7452
15 O6a O 18.2669 -17.6865
16 C8y C 20.6406 -20.4334
17 C8x C 18.2610 -20.4334
18 C8x C 20.6406 -21.8099
19 O1a O 21.8246 -19.7452
20 C8x C 18.2610 -21.8099
21 C8x C 19.4509 -22.4981
22 O0 O 32.2339 -18.3489
23 O0 O 32.2339 -18.3489
24 O0 O 32.2339 -18.3489
25 O0 O 32.2339 -18.3489
BOND 22
1 1 4 2
2 2 5 1
3 2 6 2
4 3 7 2
5 3 8 1
6 4 9 1
7 5 10 1
8 7 11 1
9 10 12 1
10 12 13 1
11 13 14 1
12 13 15 2
13 14 16 2
14 14 17 1
15 16 18 1
16 16 19 1
17 17 20 2
18 18 21 2
19 9 11 2
20 20 21 1
21 1 2 1
22 1 3 1
BRACKET 1 30.3100 -19.3200 30.3100 -17.2900
1 32.6900 -17.2900 32.6900 -19.3200
1 4
ORIGINAL 1 22
REPEAT 1 23 24 25
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