| Entry |
|
|---|
| Name |
Tienilic acid;
Ticrynafen
|
|---|
| Formula |
C13H8Cl2O4S
|
|---|
| Exact mass |
329.952
|
|---|
| Mol weight |
331.1712
|
|---|
| Structure |
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|---|
| Remark |
|
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| 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)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 20
1 C8y C 30.5200 -16.7300
2 C8y C 30.5200 -18.1300
3 C8x C 31.7100 -18.8300
4 C8x C 32.9700 -18.1300
5 C8y C 32.9700 -16.7300
6 C8y C 31.7100 -16.0300
7 X Cl 31.7100 -14.6300
8 X Cl 29.3300 -16.0300
9 O2a O 29.3300 -18.8300
10 C1b C 28.1400 -18.1300
11 C6a C 26.9500 -18.8300
12 O6a O 25.7600 -18.1300
13 O6a O 26.9500 -20.2300
14 C5a C 34.1600 -16.0300
15 C8y C 35.4200 -16.7300
16 O5a O 34.1600 -14.6300
17 C8x C 35.4200 -18.1300
18 C8x C 36.7500 -18.5500
19 C8x C 37.5900 -17.4300
20 S2x S 36.7500 -16.3100
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
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