| Entry |
|
|---|
| Name |
Ticrynafen (USAN);
Tienilic acid (INN);
Selacryn (TN) |
|---|
| Formula |
C13H8Cl2O4S
|
|---|
| Exact mass |
329.952
|
|---|
| Mol weight |
331.1712
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01748 Loop diuretic
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihypertensive, Diuretic, Uricosuric, Na-K-Cl cotransporter inhibitor |
|---|
| Comment |
loop diuretic
Aryloxyacetic acid derivative
|
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C03 DIURETICS
C03C HIGH-CEILING DIURETICS
C03CC Aryloxyacetic acid derivatives
C03CC02 Tienilic acid
D02386 Ticrynafen (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01748 Loop diuretic
D02386 Ticrynafen
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC12
SLC12A1 (NKCC2)
D02386 Ticrynafen (USAN)
SLC12A2 (NKCC1)
D02386 Ticrynafen (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 C8y C 30.5239 -16.7329
2 C8y C 30.5239 -18.1333
3 C8x C 31.7366 -18.8335
4 C8x C 32.9494 -18.1333
5 C8y C 32.9494 -16.7329
6 C8y C 31.7366 -16.0327
7 X Cl 31.7366 -14.6325
8 X Cl 29.3111 -16.0327
9 O2a O 29.3111 -18.8335
10 C1b C 28.1153 -18.1429
11 C6a C 26.9275 -18.8286
12 O6a O 25.7360 -18.1404
13 O6a O 26.9273 -20.2337
14 C5a C 34.1809 -16.0217
15 C8y C 35.3864 -16.7176
16 O5a O 34.1806 -14.6324
17 C8x C 35.3900 -18.1262
18 C8x C 36.7335 -18.5605
19 C8x C 37.5618 -17.4170
20 S2x S 36.7301 -16.2759
BOND 21
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 1 8 1
9 2 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 11 13 2
14 5 14 1
15 14 15 1
16 14 16 2
17 15 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 15 20 1
|
|---|
