KEGG   DRUG: Benzetimide hydrochloride
Entry
D03087                      Drug                                   
Name
Benzetimide hydrochloride (USAN);
Dioxatrine (TN)
Formula
C23H26N2O2. HCl
Exact mass
398.1761
Mol weight
398.9257
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Remark
Chemical structure group: DG01301
Efficacy
Muscarinic acetylcholine receptor antagonist
Comment
Anticholinergic
Target
CHRM [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Interaction
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01301  Benzetimide
    D03087  Benzetimide hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D03087  Benzetimide hydrochloride (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01301  Benzetimide
Other DBs
CAS: 5633-14-7
PubChem: 17397242
LigandBox: D03087
NIKKAJI: J244.722C
LinkDB
KCF data

ATOM        28
            1   C1z C    14.7000  -15.8200
            2   C1x C    14.7000  -17.1500
            3   C1x C    13.5800  -17.8500
            4   C5x C    12.3900  -17.1500
            5   N1x N    12.3900  -15.8200
            6   C5x C    13.5800  -15.1200
            7   O5x O    13.5800  -13.7900
            8   O5x O    11.2000  -17.8500
            9   C1y C    15.8900  -15.1200
            10  C1x C    15.8900  -13.7900
            11  C1x C    17.0800  -13.0900
            12  N1y N    18.2000  -13.7900
            13  C1x C    18.2000  -15.1200
            14  C1x C    17.0800  -15.8200
            15  C8y C    16.8700  -17.1500
            16  C1b C    19.3900  -13.0900
            17  C8y C    20.5800  -13.7900
            18  C8x C    21.7000  -13.0900
            19  C8x C    22.8900  -13.7900
            20  C8x C    22.8900  -15.1200
            21  C8x C    21.7700  -15.8200
            22  C8x C    20.5800  -15.1200
            23  C8x C    19.3200  -17.1500
            24  C8x C    19.3200  -18.5500
            25  C8x C    18.1300  -19.2500
            26  C8x C    16.8700  -18.5500
            27  C8x C    18.1300  -16.4500
            28  X   Cl   22.6800  -18.6900
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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