| Entry |
|
|---|
| Name |
Salicylate meglumine (USAN) |
|---|
| Formula |
C7H17NO5. C7H6O3
|
|---|
| Exact mass |
333.1424
|
|---|
| Mol weight |
333.3343
|
|---|
| Structure |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01909 Anti-inflammatory drug, salicylic acid derivatives
|
|---|
| Efficacy |
Analgesic, Antirheumatic |
|---|
| 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
D05791 Salicylate meglumine
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D05791 Salicylate meglumine (USAN)
PTGS2 (COX2)
D05791 Salicylate meglumine (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 C8y C 3.6768 -6.7118
2 C8y C 4.8996 -7.4098
3 C8x C 2.4731 -7.4098
4 C6a C 3.7403 -5.3226
5 C8x C 4.8996 -8.8183
6 O1a O 6.1033 -6.7118
7 C8x C 2.4731 -8.8183
8 O6a O 4.9503 -4.6247
9 O6a O 2.5302 -4.6310
10 C8x C 3.6768 -9.5290
11 C1a C 9.8436 -6.8102
12 N1b N 11.0547 -6.1114
13 C1b C 12.2659 -6.8102
14 C1c C 13.4769 -6.1114
15 C1c C 14.6881 -6.8102
16 C1c C 15.8993 -6.1114
17 C1c C 17.1104 -6.8102
18 C1b C 18.3215 -6.1580
19 O1a O 19.5328 -6.8567
20 O1a O 13.4769 -4.7139
21 O1a O 14.6881 -8.2076
22 O1a O 15.8993 -4.7139
23 O1a O 17.1104 -8.2541
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 1
10 7 10 2
11 16 17 1
12 13 14 1
13 17 18 1
14 18 19 1
15 14 15 1
16 14 20 1 #Down
17 12 13 1
18 15 21 1 #Down
19 15 16 1
20 16 22 1 #Down
21 11 12 1
22 17 23 1 #Up
|
|---|
