| Entry |
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| Name |
Etacrynic acid (JP16/INN);
Ethacrynic acid (USP)
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| Product |
|
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| Formula |
C13H12Cl2O4
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| Exact mass |
302.0113
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| Mol weight |
303.138
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| Structure |
     |
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| Activity |
Diuretic
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| Remark |
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| Comment |
Loop diuretic
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| Target |
Na-K-Cl cotransporter 1 inhibitor [HSA: 6557] [KO: K14425]; Na-K-Cl cotransporter 2 inhibitor [HSA: 6558] [KO: K10951] |
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| Interaction |
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| Structure map |
| Ion transporter inhibitors |
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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
C03CC01 Etacrynic acid
D00313 Etacrynic acid (JP16/INN); Ethacrynic acid (USP)
USP drug classification [BR:br08302]
Cardiovascular Agents
Diuretics, Loop
Ethacrynate / Ethacrynic acid
D00313 Etacrynic acid (JP16/INN); Ethacrynic acid (USP)
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC12
SLC12A1 [HSA:6557] [KO:K14425]
Etacrynic acid [ATC:C03CC01]
D00313 Etacrynic acid (JP16/INN); Ethacrynic acid (USP)
SLC12A2 [HSA:6558] [KO:K10951] [TC:2.A.30.3.1]
Etacrynic acid [ATC:C03CC01]
D00313 Etacrynic acid (JP16/INN); Ethacrynic acid (USP)
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| Other DBs |
CAS: 58-54-8 PubChem: DrugBank: PDB-CCD: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 19
1 C8y C 23.0457 -16.2816
2 C8y C 21.8340 -15.5825
3 C5a C 24.2632 -15.5825
4 C8x C 23.0457 -17.6796
5 C8y C 20.6166 -16.2816
6 X Cl 21.8399 -14.1845
7 C2c C 25.4747 -16.2816
8 O5a O 24.2632 -14.1845
9 C8x C 21.8340 -18.3844
10 C8y C 20.6166 -17.6796
11 X Cl 19.4050 -15.5825
12 C1b C 26.6805 -15.5885
13 C2a C 25.4747 -17.6853
14 O2a O 19.4050 -18.3844
15 C1a C 27.8921 -16.2875
16 C1b C 18.1935 -17.6853
17 C6a C 16.9877 -18.3903
18 O6a O 15.7702 -17.6853
19 O6a O 16.9877 -19.7883
BOND 19
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 2
10 5 11 1
11 7 12 1
12 7 13 2
13 10 14 1
14 12 15 1
15 14 16 1
16 16 17 1
17 17 18 1
18 17 19 2
19 9 10 1
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