| Entry |
|
|---|
| Name |
Sermetacin (USAN/INN) |
|---|
| Formula |
C22H21ClN2O6
|
|---|
| Exact mass |
444.1088
|
|---|
| Mol weight |
444.8649
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
|
|---|
| Efficacy |
Anti-inflammatory |
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
D05830 Sermetacin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8y C 22.6554 -22.4616
2 C8y C 22.6484 -23.9335
3 C1a C 23.9306 -24.6825
4 C5a C 25.2201 -22.4807
5 C1b C 23.9377 -21.7318
6 C8y C 20.3158 -23.8196
7 C8y C 20.3158 -22.4665
8 N4y N 21.4947 -24.5066
9 C8x C 19.1306 -24.4879
10 C8x C 19.1306 -21.7805
11 C5a C 21.4595 -25.8460
12 C8x C 17.9704 -23.8196
13 C8y C 17.9704 -22.4665
14 C8y C 20.6418 -26.3024
15 O2a O 16.8110 -21.8051
16 C8x C 19.4521 -25.6400
17 C8x C 20.6399 -27.6611
18 C1a C 15.6436 -22.4851
19 C8x C 18.2837 -26.3227
20 C8x C 19.4905 -28.3393
21 C8y C 18.3031 -27.6689
22 X Cl 17.1601 -28.3582
23 N1b N 26.5023 -21.7440
24 O5a O 25.2201 -23.9527
25 O5a O 22.6587 -26.5714
26 C1c C 27.7424 -22.4700
27 C1b C 28.9549 -21.7700
28 O1a O 30.1673 -22.4700
29 C6a C 27.7382 -23.8699
30 O6a O 26.5100 -24.5742
31 O6a O 28.9349 -24.5657
BOND 33
1 6 7 2
2 6 8 1
3 6 9 1
4 7 1 1
5 7 10 1
6 8 2 1
7 8 11 1
8 9 12 2
9 10 13 2
10 11 14 1
11 13 15 1
12 14 16 2
13 14 17 1
14 15 18 1
15 16 19 1
16 17 20 2
17 19 21 2
18 21 22 1
19 12 13 1
20 20 21 1
21 4 5 1
22 4 23 1
23 5 1 1
24 4 24 2
25 1 2 2
26 2 3 1
27 11 25 2
28 23 26 1
29 26 27 1
30 27 28 1
31 26 29 1 #Up
32 29 30 2
33 29 31 1
|
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