KEGG   DRUG: EpithiazideHelp
Entry
D04033                      Drug                                   

Name
Epithiazide (USAN);
Epitizide (INN)
Formula
C10H11ClF3N3O4S3
Exact mass
424.9552
Mol weight
425.8553
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01690  Sulfonamide diuretic
  DG01749  Thiazide diuretic
Efficacy
Antihypertensive, Diuretic
Comment
Thiazides
Interaction
Drug interaction
Other DBs
CAS: 1764-85-8
PubChem: 47205998
ChEMBL: CHEMBL2104605
LigandBox: D04033
NIKKAJI: J7.772K
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    32.0147  -14.9987
            2   C8y C    31.9564  -16.4135
            3   C8x C    33.1559  -14.2940
            4   C8x C    33.1733  -17.0889
            5   C8y C    34.3726  -14.9928
            6   C8y C    34.3785  -16.3845
            7   S4a S    35.5779  -14.2825
            8   X   Cl   35.5955  -17.0832
            9   N1a N    36.7891  -13.5779
            10  O3c O    34.8792  -13.0830
            11  O3c O    36.2826  -15.4936
            12  S2x S    30.7280  -14.3095
            13  N1x N    29.5229  -15.0186
            14  C1y C    29.5346  -16.4335
            15  N1x N    30.7513  -17.1226
            16  C1b C    28.3197  -17.1485
            17  S2a S    27.1006  -16.4583
            18  C1b C    25.8875  -17.1726
            19  C1d C    24.6767  -16.4874
            20  X   F    23.4658  -15.7883
            21  X   F    23.9829  -17.7013
            22  X   F    25.3705  -15.2736
            23  O3c O    31.7167  -13.3209
            24  O3c O    29.7393  -13.3209
BOND        25
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     7  10 2
            10    7  11 2
            11    5   6 1
            12    1  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    2  15 1
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   19  21 1
            23   19  22 1
            24   12  23 2
            25   12  24 2

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