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KEGG   DRUG: Flumethiazide
Entry
D02453                      Drug                                   
Name
Flumethiazide (INN);
Ademol (TN)
Formula
C8H6F3N3O4S2
Exact mass
328.9752
Mol weight
329.28
Structure
Simcomp
Class
Cardiovascular agent
 DG03231  Antihypertensive
  DG01749  Thiazide diuretic
 DG01690  Sulfonamide diuretic
  DG01749  Thiazide diuretic
Efficacy
Antihypertensive, Na+-Cl- symport inhibitor
Comment
Thiazides
Target
SLC12A3 (TSC) [HSA:6559] [KO:K14426]
SLC12A1 (NKCC2) [HSA:6557] [KO:K14425]
Interaction
Structure map
map07017  Sulfonamide derivatives - diuretics
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG03231  Antihypertensive
   DG01749  Thiazide diuretic
    D02453  Flumethiazide
  DG01690  Sulfonamide diuretic
   DG01749  Thiazide diuretic
    D02453  Flumethiazide
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A1 (NKCC2)
     D02453  Flumethiazide (INN)
    SLC12A3 (TSC)
     D02453  Flumethiazide (INN)
Other DBs
CAS: 148-56-1
PubChem: 7849510
LigandBox: D02453
NIKKAJI: J5.846G
LinkDB
KCF data

ATOM        20
            1   C8y C    19.6068  -19.4515
            2   C8y C    19.6126  -18.0526
            3   C8x C    20.8125  -20.1598
            4   N5x N    18.4008  -20.1539
            5   C8x C    20.8242  -17.3561
            6   S2x S    18.4008  -17.3502
            7   C8y C    22.0299  -19.4632
            8   C8x C    17.1834  -19.4515
            9   C8y C    22.0359  -18.0643
            10  N4x N    17.1834  -18.0526
            11  O3c O    17.3883  -16.3551
            12  O3c O    19.6068  -16.6478
            13  C1d C    23.2358  -20.1598
            14  S4a S    23.2416  -17.3502
            15  X   F    24.4356  -19.4515
            16  X   F    23.2241  -21.5587
            17  X   F    24.4356  -20.8622
            18  N1a N    24.4474  -16.6478
            19  O3c O    24.4474  -18.0526
            20  O3c O    22.2408  -16.3551
BOND        21
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    6  11 2
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   13  15 1
            15   13  16 1
            16   13  17 1
            17   14  18 1
            18   14  19 2
            19   14  20 2
            20    7   9 1
            21    8  10 1

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