KEGG   COMPOUND: C07861Help
Entry
C07861                      Compound                               

Name
Tridihexethyl
Formula
C21H36NO
Exact mass
318.2797
Mol weight
318.5166
Structure
Mol fileKCF fileDB search
Remark
ATC code: A03AB08
Drug group: DG00037
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
     A03AB08 Tridihexethyl
      C07861  Tridihexethyl
BRITE hierarchy
Other DBs
CAS: 60-49-1
PubChem: 10063
ChEBI: 9701
ChEMBL: CHEMBL1201354
NIKKAJI: J4.804F
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1a C    11.1300  -18.6900
            2   C1b C    12.3424  -17.9900
            3   N1d N    13.5549  -18.6900 #+
            4   C1b C    14.7673  -17.9900
            5   C1b C    15.9797  -18.6900
            6   C1d C    17.1922  -17.9900
            7   C8y C    18.4046  -18.6900
            8   C8x C    19.6170  -17.9900
            9   C8x C    20.8295  -18.6900
            10  C8x C    18.4046  -20.0900
            11  C8x C    19.6170  -20.7900
            12  C8x C    20.8295  -20.0900
            13  C1y C    17.1922  -16.5903
            14  C1x C    18.4254  -15.8780
            15  C1x C    18.4252  -14.4780
            16  C1x C    17.2126  -13.7782
            17  C1x C    15.9794  -14.4905
            18  C1x C    15.9796  -15.8905
            19  O1a O    18.4046  -17.2900
            20  C1b C    13.5549  -20.0900
            21  C1a C    12.3614  -20.7793
            22  C1b C    13.5549  -17.2900
            23  C1a C    12.5649  -16.3001
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     7  10 2
            10   10  11 1
            11   11  12 2
            12   12   9 1
            13    6  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20    6  19 1
            21    3  20 1
            22   20  21 1
            23    3  22 1
            24   22  23 1

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