KEGG   DRUG: D03087Help
Entry
D03087                      Drug                                   

Name
Benzetimide hydrochloride (USAN);
Dioxatrine (TN)
Formula
C23H26N2O2. HCl
Exact mass
398.1761
Mol weight
398.9257
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anticholinergic
Remark
Drug group: 
Target
muscarinic cholinergic receptor antagonist [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Benzetimide
      D03087  Benzetimide hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
5633-14-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1z C    29.5400  -15.9600
            2   C1x C    29.5400  -17.2900
            3   C1x C    30.7300  -17.9900
            4   C5x C    31.9200  -17.2900
            5   N1x N    31.9200  -15.9600
            6   C5x C    30.7300  -15.2600
            7   O5x O    30.7300  -13.9300
            8   O5x O    33.1100  -17.9900
            9   C1y C    28.3500  -15.2600
            10  C1x C    28.3500  -13.9300
            11  C1x C    27.1600  -13.2300
            12  N1y N    26.0400  -13.9300
            13  C1x C    26.0400  -15.2600
            14  C1x C    27.1600  -15.9600
            15  C8y C    27.3700  -17.2900
            16  C1b C    24.8500  -13.2300
            17  C8y C    23.6600  -13.9300
            18  C8x C    22.5400  -13.2300
            19  C8x C    21.3500  -13.9300
            20  C8x C    21.3500  -15.2600
            21  C8x C    22.4700  -15.9600
            22  C8x C    23.6600  -15.2600
            23  C8x C    24.9200  -17.2900
            24  C8x C    24.9200  -18.6900
            25  C8x C    26.1100  -19.3900
            26  C8x C    27.3700  -18.6900
            27  C8x C    26.1100  -16.5900
            28  X   Cl   36.2957  -16.4272
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     4   8 2
            9     1   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16    1  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  15 1
            29   15  27 2
            30   23  27 1

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