KEGG   COMPOUND: C07765Help
Entry
C07765                      Compound                               

Name
Methyclothiazide
Formula
C9H11Cl2N3O4S2
Exact mass
358.9568
Mol weight
360.2373
Structure
Mol fileKCF fileDB search
Remark
Same as: D00656
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03A LOW-CEILING DIURETICS, THIAZIDES
    C03AA Thiazides, plain
     C03AA08 Methyclothiazide
      D00656  Methyclothiazide (JAN/USP/INN) <US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Diuretics, Thiazide
   Methyclothiazide
    D00656  Methyclothiazide (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A1 (NKCC2)
     D00656  Methyclothiazide (JAN/USP/INN) <US>
    SLC12A3 (TSC)
     D00656  Methyclothiazide (JAN/USP/INN) <US>
BRITE hierarchy
Other DBs
CAS: 135-07-9
PubChem: 9967
ChEBI: 6847
ChEMBL: CHEMBL1577
NIKKAJI: J5.603K
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    25.7077  -20.3318
            2   C8y C    25.7135  -18.9336
            3   N1x N    24.5075  -21.0308
            4   C8x C    26.9193  -21.0367
            5   C8x C    26.9310  -18.2345
            6   S2x S    24.5075  -18.2287
            7   C1y C    23.2900  -20.3318
            8   C8y C    28.1369  -20.3434
            9   C8y C    28.1428  -18.9395
            10  N1y N    23.2900  -18.9336
            11  O3c O    23.4998  -17.2268
            12  O3c O    25.7077  -17.5238
            13  C1b C    22.0783  -21.0308
            14  X   Cl   29.3371  -21.0367
            15  S4a S    29.3429  -18.2404
            16  C1a C    22.0726  -18.2287
            17  X   Cl   20.8666  -20.3318
            18  N1a N    30.5545  -17.5354
            19  O3c O    28.6510  -17.0529
            20  O3c O    30.0606  -19.4724
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 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    7  10 1
            19    8   9 1
            20   15  19 2
            21   15  20 2

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