| Entry |
|
|---|
| Name |
Trecetilide (INN) |
|---|
| Formula |
C21H37FN2O3S
|
|---|
| Exact mass |
416.2509
|
|---|
| Mol weight |
416.5935
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiarrhythmic, Potassium channel blocker |
|---|
| Comment |
Class III antiarrhythmic agent
Sematilide derivative
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Potassium channels
KCNH2
D09759 Trecetilide (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8y C 29.3300 -20.4400
2 C8x C 29.3300 -21.8400
3 C8x C 30.5200 -19.7400
4 C1c C 28.0700 -19.7400
5 C8x C 30.5200 -22.6100
6 C8x C 31.7800 -20.4400
7 C1b C 26.8800 -20.4400
8 O1a O 28.0700 -18.3400
9 C8y C 31.7800 -21.8400
10 C1b C 25.6200 -19.7400
11 N1b N 32.9700 -22.5400
12 C1b C 24.4300 -20.4400
13 S4a S 34.2300 -21.8400
14 N1c N 23.2400 -19.7400
15 C1a C 35.4200 -22.5400
16 O3c O 32.9700 -21.1400
17 O3c O 35.2800 -21.1400
18 C1b C 23.2400 -18.3400
19 C1a C 24.4300 -17.6400
20 C1b C 21.9800 -20.4400
21 C1b C 20.7900 -19.7400
22 C1b C 19.6000 -20.4400
23 C1b C 18.4100 -19.7400
24 C1b C 17.1500 -20.4400
25 C1d C 15.9600 -19.7400
26 C1a C 14.7700 -20.4400
27 X F 17.1500 -19.0400
28 C1a C 14.7700 -19.0400
BOND 28
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 7 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 13 16 2
16 13 17 2
17 14 18 1
18 6 9 2
19 18 19 1
20 14 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 25 27 1
28 25 28 1
|
|---|
