KEGG   COMPOUND: C07766
Entry
C07766                      Compound                               
Name
Polythiazide
Formula
C11H13ClF3N3O4S3
Exact mass
438.9709
Mol weight
439.8818
Structure
Remark
Same as: D00657
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03A LOW-CEILING DIURETICS, THIAZIDES
    C03AA Thiazides, plain
     C03AA05 Polythiazide
      D00657  Polythiazide (JAN/USAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG03231  Antihypertensive
   DG01749  Thiazide diuretic
    D00657  Polythiazide
  DG01690  Sulfonamide diuretic
   DG01749  Thiazide diuretic
    D00657  Polythiazide
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A3 (TSC)
     D00657  Polythiazide (JAN/USAN/INN)
Other DBs
CAS: 346-18-9
PubChem: 9968
ChEBI: 8327
NIKKAJI: J2.035D
LinkDB
KCF data

ATOM        25
            1   C8y C    25.0405  -17.2302
            2   C8y C    25.0346  -15.8323
            3   N1x N    23.8290  -17.9408
            4   C8x C    26.2402  -17.9350
            5   C8x C    26.2402  -15.1334
            6   S2x S    23.8173  -15.1393
            7   C1y C    22.6117  -17.2418
            8   C8y C    27.4575  -17.2302
            9   C8y C    27.4575  -15.8323
            10  N1y N    22.6060  -15.8383
            11  O3c O    25.0405  -14.4288
            12  O3c O    22.6117  -14.4230
            13  C1b C    21.4061  -17.9408
            14  X   Cl   28.6748  -17.9291
            15  S4a S    28.6689  -15.1334
            16  C1a C    21.4003  -15.1334
            17  S2a S    20.2004  -17.2361
            18  N1a N    29.8804  -14.4288
            19  O3c O    29.8745  -15.8207
            20  O3c O    27.4575  -14.4230
            21  C1b C    18.9950  -17.9408
            22  C1d C    17.7834  -17.2361
            23  X   F    16.5721  -17.9408
            24  X   F    17.7894  -15.8383
            25  X   F    16.5721  -16.5313
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     4   8 2
            8     5   9 2
            9     6  10 1
            10    6  11 2
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   13  17 1
            17   15  18 1
            18   15  19 2
            19   15  20 2
            20   17  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 1
            25    7  10 1
            26    8   9 1

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