KEGG   COMPOUND: C07811Help
Entry
C07811                      Compound                               

Name
Hexocyclium
Formula
C20H33N2O
Exact mass
317.2593
Mol weight
317.4888
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 6004-98-4
PubChem: 10013
ChEBI: 5707
ChEMBL: CHEMBL1201325
NIKKAJI: J8.332A
KCF data Show

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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