KEGG   COMPOUND: C07811
Entry
C07811                      Compound                               
Name
Hexocyclium
Formula
C20H33N2O
Exact mass
317.2593
Mol weight
317.4888
Structure
Remark
ATC code: A03AB10
Drug group: DG00039
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
     A03AB10 Hexocyclium
      C07811  Hexocyclium
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG00039  Hexocyclium
    C07811  Hexocyclium
Other DBs
CAS: 6004-98-4
PubChem: 10013
ChEBI: 5707
NIKKAJI: J8.332A
KCF data

ATOM        23
            1   C8x C    26.2528  -22.9258
            2   C8x C    27.4559  -22.2181
            3   C8x C    27.4559  -20.8027
            4   C8x C    26.2528  -20.0950
            5   C8y C    25.0497  -20.8027
            6   C8x C    25.0497  -22.1474
            7   C1x C    25.1205  -17.9719
            8   C1y C    23.8466  -18.6796
            9   C1d C    23.8466  -20.0242
            10  C1x C    25.1205  -16.5565
            11  C1x C    23.9174  -15.8488
            12  C1x C    22.7143  -16.5565
            13  C1x C    22.6435  -17.9011
            14  C1b C    22.6435  -20.7319
            15  N1y N    21.4404  -20.0242
            16  C1x C    21.4404  -18.6088
            17  C1x C    20.2373  -17.9011
            18  N2y N    19.0342  -18.6088 #+
            19  C1x C    18.9634  -19.9535
            20  C1x C    20.1666  -20.6612
            21  O1a O    25.0724  -19.3165
            22  C1a C    17.8085  -17.9011
            23  C1a C    17.8085  -19.3165
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23    9  21 1
            24   18  22 1
            25   18  23 1

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