KEGG   COMPOUND: C12685Help
Entry
C12685                      Compound                               

Name
Cyclothiazide
Formula
C14H16ClN3O4S2
Exact mass
389.0271
Mol weight
389.8775
Structure
Mol fileKCF fileDB search
Remark
Same as: D01256
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03A LOW-CEILING DIURETICS, THIAZIDES
    C03AA Thiazides, plain
     C03AA09 Cyclothiazide
      D01256  Cyclothiazide (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 2259-96-3
PubChem: 583075
ChEBI: 31448
ChEMBL: CHEMBL61593
NIKKAJI: J3.702H
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1y C    20.9454  -15.6235
            2   C1x C    20.2938  -14.6500
            3   C1y C    22.1592  -16.2683
            4   C2x C    19.5219  -15.8638
            5   C1y C    20.2938  -16.7116
            6   C1x C    21.5144  -17.6034
            7   C2x C    18.8327  -17.1161
            8   C8y C    25.6167  -14.2726
            9   C8y C    25.6109  -15.5893
            10  C8x C    26.7630  -13.6201
            11  S2x S    24.4759  -13.6143
            12  C8x C    26.7460  -16.2534
            13  N1x N    24.4759  -16.2476
            14  C8y C    27.8981  -14.2840
            15  N1x N    23.3351  -14.2726
            16  O3c O    23.2046  -12.8141
            17  O3c O    25.6734  -12.8141
            18  C8y C    27.9623  -15.6006
            19  C1y C    23.3351  -15.5893
            20  S4a S    29.0444  -13.6314
            21  X   Cl   29.1032  -16.2647
            22  N1a N    30.2590  -12.8199
            23  O3c O    30.1341  -14.6189
            24  O3c O    28.0003  -12.6155
BOND        27
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     3   6 1
            5     4   7 2
            6     5   6 1
            7     5   7 1
            8     1   2 1
            9     8   9 2
            10    8  10 1
            11    8  11 1
            12    9  12 1
            13    9  13 1
            14   10  14 2
            15   11  15 1
            16   11  16 2
            17   11  17 2
            18   12  18 2
            19   13  19 1
            20   14  20 1
            21   18  21 1
            22   20  22 1
            23   20  23 2
            24   20  24 2
            25   14  18 1
            26   15  19 1
            27   19   3 1

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