KEGG   DRUG: Clomethiazole edisilate
Entry
D07725                      Drug                                   
Name
Clomethiazole edisilate;
Heminevrin (TN)
Formula
C2H6O6S2. C6H8ClNS
Exact mass
350.9672
Mol weight
351.85
Structure
Remark
ATC code: N05CM02
Chemical structure group: DG00923
Efficacy
Sedative-hypnotic
Target
GABRA1 [HSA:2554] [KO:K05175]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CM Other hypnotics and sedatives
     N05CM02 Clomethiazole
      D07725  Clomethiazole edisilate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABRA1
     D07725  Clomethiazole edisilate
Other DBs
CAS: 1867-58-9
PubChem: 51092021
LigandBox: D07725
NIKKAJI: J414.900I
LinkDB
KCF data

ATOM        19
            1   S4a S    31.8488  -18.6402
            2   C1b C    33.0672  -17.9367
            3   C1b C    34.2856  -18.6402
            4   S4a S    35.5040  -17.9367
            5   O1d O    36.7224  -17.2333
            6   O1d O    34.8013  -16.7195
            7   O1d O    36.2081  -19.1563
            8   O1d O    30.6305  -19.3436
            9   O1d O    32.5523  -19.8585
            10  O1d O    31.1454  -17.4218
            11  C8y C    25.6900  -18.7600
            12  C8y C    24.5700  -17.9200
            13  N5x N    23.4500  -18.7600
            14  C8x C    23.8700  -20.1600
            15  S2x S    25.2700  -20.1600
            16  C1a C    24.5700  -16.5200
            17  C1b C    26.8800  -18.0600
            18  C1b C    28.0700  -18.7600
            19  X   Cl   29.2600  -18.0600
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     4   6 2
            6     4   7 1
            7     1   8 2
            8     1   9 1
            9     1  10 2
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   11  15 1
            15   12  16 1
            16   17  18 1
            17   17  11 1
            18   18  19 1

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