| Entry |
|
|---|
| Name |
Piretanide (JAN/USAN/INN);
Arelix (TN) |
|---|
| Formula |
C17H18N2O5S
|
|---|
| Exact mass |
362.0936
|
|---|
| Mol weight |
362.4002
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
|
|---|
| Efficacy |
Diuretic, Na-K-Cl cotransporter inhibitor |
|---|
| Comment |
loop diuretic
Sulfonamide derivative
|
|---|
| Target |
|
|---|
| Interaction |
|
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| Structure map |
| map07017 | Sulfonamide derivatives - diuretics |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C03 DIURETICS
C03C HIGH-CEILING DIURETICS
C03CA Sulfonamides, plain
C03CA03 Piretanide
D01634 Piretanide (JAN/USAN/INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01690 Sulfonamide diuretic
DG01746 Piretanide type diuretic
D01634 Piretanide
DG01748 Loop diuretic
DG01746 Piretanide type diuretic
D01634 Piretanide
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC12
SLC12A1 (NKCC2)
D01634 Piretanide (JAN/USAN/INN)
SLC12A2 (NKCC1)
D01634 Piretanide (JAN/USAN/INN)
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 25
1 C1x C 23.9484 -23.0592
2 C1x C 24.3859 -21.7234
3 N1y N 23.2457 -20.8941
4 C1x C 22.1057 -21.7234
5 C1x C 22.5430 -23.0592
6 C8y C 24.4382 -18.8147
7 C8y C 23.2399 -19.5079
8 C8y C 24.4324 -17.4342
9 O2a O 25.6307 -19.5020
10 C8x C 22.0357 -18.8147
11 C8x C 23.2339 -16.7410
12 S4a S 25.6307 -16.7410
13 C8y C 27.0816 -20.2304
14 C8y C 22.0357 -17.4342
15 C8x C 27.0816 -21.6168
16 C8x C 28.2858 -19.5313
17 C6a C 20.8432 -16.7352
18 C8x C 28.2858 -22.3099
19 C8x C 29.4783 -20.2304
20 O6a O 19.6389 -17.4342
21 O6a O 20.8432 -15.3547
22 C8x C 29.4783 -21.6168
23 N1a N 26.8439 -16.0286
24 O3c O 24.9203 -15.5175
25 O3c O 26.3257 -17.9522
BOND 27
1 2 3 1
2 3 4 1
3 4 5 1
4 6 7 1
5 6 8 2
6 6 9 1
7 7 10 2
8 7 3 1
9 8 11 1
10 8 12 1
11 9 13 1
12 10 14 1
13 13 15 2
14 13 16 1
15 14 17 1
16 15 18 1
17 16 19 2
18 17 20 1
19 17 21 2
20 18 22 2
21 11 14 2
22 19 22 1
23 5 1 1
24 12 23 1
25 12 24 2
26 1 2 1
27 12 25 2
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