KEGG   COMPOUND: C12675Help
Entry
C12675                      Compound                               

Name
Benzylhydrochlorothiazide
Formula
C14H14ClN3O4S2
Exact mass
387.0114
Mol weight
387.8617
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   213  Diuretics
    2132  Thiazides
     D01246  Benzylhydrochlorothiazide (JAN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A3
     Benzylhydrochlorothiazide
      D01246  Benzylhydrochlorothiazide (JAN)
BRITE hierarchy
Other DBs
CAS: 
1824-50-6
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8y C    17.5658  -18.6523
            2   C8x C    16.3577  -19.3517
            3   C8x C    15.1480  -18.6552
            4   C8x C    15.1464  -17.2592
            5   C8x C    16.3545  -16.5598
            6   C8x C    17.5641  -17.2564
            7   C8y C    22.4196  -18.6748
            8   C8y C    22.4196  -17.2833
            9   N1x N    21.2093  -19.3705
            10  C8x C    23.6358  -19.3705
            11  C8x C    23.6358  -16.5817
            12  S2x S    21.2093  -16.5817
            13  C1y C    19.9990  -18.6748
            14  C8y C    24.8518  -18.6748
            15  C8y C    24.8518  -17.2833
            16  N1x N    19.9990  -17.2833
            17  C1b C    18.7713  -19.3705
            18  X   Cl   26.0738  -19.3705
            19  S4a S    26.0738  -16.5817
            20  N1a N    27.2898  -15.8742
            21  O3c O    26.7754  -17.7977
            22  O3c O    25.3662  -15.3597
            23  O3c O    22.4428  -15.9221
            24  O3c O    20.0112  -15.8594
BOND        26
            1     4   5 2
            2     5   6 1
            3     6   1 2
            4     1   2 1
            5     7   8 2
            6     7   9 1
            7     7  10 1
            8     8  11 1
            9     8  12 1
            10    9  13 1
            11   10  14 2
            12   11  15 2
            13   12  16 1
            14   13  17 1
            15   14  18 1
            16   15  19 1
            17   17   1 1
            18   19  20 1
            19   19  21 2
            20   19  22 2
            21   13  16 1
            22   14  15 1
            23    2   3 2
            24   12  23 2
            25    3   4 1
            26   12  24 2

» Japanese version

DBGET integrated database retrieval system