KEGG   DRUG: Metolazone
Entry
D00431                      Drug                                   
Name
Metolazone (JAN/USP/INN);
Zaroxolyn (TN)
Product
  Generic
Formula
C16H16ClN3O3S
Exact mass
365.0601
Mol weight
365.8345
Structure
Simcomp
Class
Cardiovascular agent
 DG03231  Antihypertensive
  DG02992  Thiazide related diuretic
 DG01690  Sulfonamide diuretic
  DG02992  Thiazide related diuretic
Remark
ATC code: C03BA08
Product: D00431<US>
Efficacy
Antihypertensive, Diuretic, Na+-Cl- symport inhibitor
  Disease
Nephrotic syndrome [DS:H01657]
Comment
Sulfonamide derivative
Target
SLC12A3 (TSC) [HSA:6559] [KO:K14426]
Interaction
Structure map
map07017  Sulfonamide derivatives - diuretics
map07233  Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03B LOW-CEILING DIURETICS, EXCL. THIAZIDES
    C03BA Sulfonamides, plain
     C03BA08 Metolazone
      D00431  Metolazone (JAN/USP/INN) <US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Diuretics, Thiazide
   Metolazone
    D00431  Metolazone (JAN/USP/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG03231  Antihypertensive
   DG02992  Thiazide related diuretic
    D00431  Metolazone
  DG01690  Sulfonamide diuretic
   DG02992  Thiazide related diuretic
    D00431  Metolazone
Drug classes [BR:br08332]
 Cardiovascular agent
  DG02992  Thiazide related diuretic
   D00431  Metolazone
  DG03231  Antihypertensive
   D00431  Metolazone
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A3 (TSC)
     D00431  Metolazone (JAN/USP/INN) <US>
Other DBs
CAS: 17560-51-9
PubChem: 7847497
ChEBI: 64354
LigandBox: D00431
NIKKAJI: J3.450I
KCF data

ATOM        24
            1   C8y C    22.2608  -17.1556
            2   C8y C    22.2434  -18.5423
            3   C5x C    23.4727  -16.4797
            4   C8x C    21.0664  -16.4448
            5   N1x N    23.4319  -19.2532
            6   C8x C    21.0256  -19.2299
            7   N1y N    24.6613  -17.1906
            8   O5x O    23.4260  -15.0871
            9   C8y C    19.7786  -17.1206
            10  C1y C    24.6439  -18.5773
            11  C8y C    19.8312  -18.5190
            12  C8y C    25.8791  -16.5147
            13  S4a S    18.6542  -16.4040
            14  C1a C    25.8384  -19.2939
            15  X   Cl   18.6134  -19.1949
            16  C8y C    25.8908  -15.1221
            17  C8x C    27.0676  -17.2313
            18  N1a N    17.5123  -15.6699
            19  O3c O    19.4933  -15.2444
            20  O3c O    17.7220  -17.7091
            21  C8x C    27.1085  -14.4462
            22  C1a C    24.6904  -14.4112
            23  C8x C    28.2854  -16.5554
            24  C8x C    28.3087  -15.1570
BOND        26
            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 1
            10    6  11 2
            11    7  12 1
            12    9  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 2
            17   13  18 1
            18   13  19 2
            19   13  20 2
            20   16  21 2
            21   16  22 1
            22   17  23 1
            23   21  24 1
            24    7  10 1
            25    9  11 1
            26   23  24 2

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