KEGG   COMPOUND: C12768
Entry
C12768                      Compound                               
Name
Timepidium bromide;
Timepidium bromide anhydrous
Formula
C17H22NOS2. Br
Exact mass
399.0326
Mol weight
400.3967
Structure
Remark
ATC code: A03AB19
Drug group: DG00041
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AB Synthetic anticholinergics, quaternary ammonium compounds
     A03AB19 Timepidium bromide
      C12768  Timepidium bromide
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG00041  Timepidium bromide
    C12768  Timepidium bromide
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG00041  Timepidium bromide
    C12768  Timepidium bromide
Other DBs
CAS: 35035-05-3
PubChem: 583157
ChEBI: 32226
NIKKAJI: J243.932H
KCF data

ATOM        22
            1   C1x C    20.0200  -24.2200
            2   C1y C    21.2100  -24.9200
            3   C1x C    22.4000  -24.2200
            4   C2y C    22.4000  -22.8900
            5   C1x C    21.2100  -22.1900
            6   N2y N    20.0200  -22.8900 #+
            7   O2a O    21.2100  -26.3200
            8   C1a C    20.0200  -27.0200
            9   C2c C    23.5900  -22.1900
            10  C8y C    24.7800  -22.8200
            11  C8y C    23.5900  -20.7900
            12  C8x C    22.4700  -19.9500
            13  C8x C    22.8900  -18.6200
            14  C8x C    24.2900  -18.6900
            15  S2x S    24.7100  -19.9500
            16  C8x C    25.2700  -24.1500
            17  C8x C    26.6000  -24.1500
            18  C8x C    27.0200  -22.8200
            19  S2x S    25.9000  -22.0500
            20  C1a C    18.8047  -22.1949
            21  C1a C    20.0200  -21.4900
            22  X   Br   20.0900  -19.2500 #-
BOND        23
            1     3   4 1
            2     4   9 2
            3     4   5 1
            4     9  10 1
            5     5   6 1
            6     9  11 1
            7     6   1 1
            8    11  12 2
            9    12  13 1
            10   13  14 2
            11   14  15 1
            12   15  11 1
            13    1   2 1
            14    2   7 1
            15    2   3 1
            16   10  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  10 1
            21    7   8 1
            22    6  20 1
            23    6  21 1

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