KEGG   DRUG: PiretanideHelp
Entry
D01634                      Drug                                   

Name
Piretanide (JAN/USAN/INN);
Arelix (TN)
Formula
C17H18N2O5S
Exact mass
362.0936
Mol weight
362.4002
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01690  Sulfonamide diuretic
  DG01746  Piretanide type diuretic
 DG01748  Loop diuretic
  DG01746  Piretanide type diuretic
Remark
ATC code: C03CA03
Efficacy
Diuretic, Na-K-Cl cotransporter inhibitor
Comment
loop diuretic
Sulfonamide derivative
Target
SLC12A1 (NKCC2) [HSA:6557] [KO:K14425]
SLC12A2 (NKCC1) [HSA:6558] [KO:K10951]
Interaction
Drug interaction
Structure map
map07017  Sulfonamide derivatives - diuretics
map07233  Ion transporter inhibitors
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)
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)
BRITE hierarchy
Other DBs
CAS: 55837-27-9
PubChem: 7848697
ChEBI: 32015
ChEMBL: CHEMBL349803
DrugBank: DB02925
LigandBox: D01634
NIKKAJI: J3.520C
LinkDB All DBs
KCF data Show

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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