KEGG   DRUG: Benztropine mesylate
Entry
D00778                      Drug                                   
Name
Benztropine mesylate (USP);
Benztropine mesilate (JAN);
Cogentin (TN)
Product
  Generic
Formula
C21H25NO. CH4SO3
Exact mass
403.1817
Mol weight
403.54
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
  DG01745  Anticholinergic antiparkinson agent
Remark
ATC code: N04AC01
Chemical structure group: DG00859
Product (DG00859): D00778<US>
Efficacy
Antiparkinsonian, Muscarinic acetylcholine receptor antagonist
  Disease
Parkinsonism [DS:H01600]
Comment
Tropane derivative
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Interaction
Structure map
map07057  Antiparkinsonian agents
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04A ANTICHOLINERGIC AGENTS
    N04AC Ethers of tropine or tropine derivatives
     N04AC01 Benzatropine
      D00778  Benztropine mesylate (USP) <US>
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Anticholinergics
   Benztropine
    D00778  Benztropine mesylate (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01745  Anticholinergic antiparkinson agent
    DG00859  Benzatropine
     D00778  Benztropine mesylate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D00778  Benztropine mesylate (USP) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01745  Anticholinergic antiparkinson agent
    DG00859  Benzatropine
Other DBs
CAS: 132-17-2
PubChem: 7847843
ChEBI: 3049
LigandBox: D00778
NIKKAJI: J237.902C
LinkDB
KCF data

ATOM        28
            1   S4a S    33.2140  -18.8297
            2   C1a C    31.8828  -18.8243
            3   O1d O    34.5508  -18.8297
            4   O1d O    33.2084  -17.4986
            5   O1d O    33.2084  -20.1610
            6   C1x C    20.7530  -17.8020
            7   C1x C    21.0706  -16.6678
            8   C1y C    21.8872  -17.5298
            9   C1y C    22.2047  -16.3956
            10  N1y N    20.9799  -15.1254
            11  C1x C    23.7018  -17.5298
            12  C1x C    23.4296  -16.3956
            13  C1y C    24.6999  -18.0742
            14  O2a O    25.7433  -18.9362
            15  C1a C    20.2548  -13.9791
            16  C1c C    27.1433  -18.9362
            17  C8y C    27.8622  -20.1811
            18  C8y C    27.8331  -17.7424
            19  C8x C    29.2596  -17.7435
            20  C8x C    29.9605  -16.5316
            21  C8x C    29.2614  -15.3186
            22  C8x C    27.8349  -15.3175
            23  C8x C    27.1340  -16.5294
            24  C8x C    27.1708  -21.3786
            25  C8x C    27.8707  -22.5911
            26  C8x C    29.2707  -22.5912
            27  C8x C    29.9621  -21.3937
            28  C8x C    29.2622  -20.1812
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     6   7 1
            6     6   8 1
            7     7   9 1
            8     8  10 1
            9     8  11 1
            10    9  12 1
            11   11  13 1
            12   13  14 1 #Down
            13    9  10 1
            14   12  13 1
            15   10  15 1
            16   14  16 1
            17   16  17 1
            18   16  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25   17  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   17  28 1

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KEGG   DRUG: Benzatropine
Entry
D07511                      Drug                                   
Name
Benzatropine (INN);
Benztropine
Formula
C21H25NO
Exact mass
307.1936
Mol weight
307.43
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
  DG01745  Anticholinergic antiparkinson agent
Remark
Same as: C06846
ATC code: N04AC01
Chemical structure group: DG00859
Product (DG00859): D00778<US>
Efficacy
Antiparkinsonian, Muscarinic acetylcholine receptor antagonist
Comment
Tropane derivative
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Interaction
Structure map
map07057  Antiparkinsonian agents
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04A ANTICHOLINERGIC AGENTS
    N04AC Ethers of tropine or tropine derivatives
     N04AC01 Benzatropine
      D07511  Benzatropine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01745  Anticholinergic antiparkinson agent
    DG00859  Benzatropine
     D07511  Benzatropine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D07511  Benzatropine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01745  Anticholinergic antiparkinson agent
    DG00859  Benzatropine
Other DBs
CAS: 86-13-5
PubChem: 51091834
ChEBI: 3048
PDB-CCD: CXQ[PDBj]
LigandBox: D07511
NIKKAJI: J232.148C J4.933F
LinkDB
KCF data

ATOM        23
            1   C1x C    14.4215  -15.7645
            2   C1x C    14.7705  -14.6480
            3   C1y C    15.5381  -15.4854
            4   C1y C    15.8172  -14.3689
            5   N1y N    14.6309  -13.1826
            6   C1x C    17.2827  -15.4854
            7   C1x C    17.0035  -14.3689
            8   C1y C    18.2596  -15.9739
            9   O2a O    19.2366  -16.8113
            10  C1a C    13.9331  -12.0660
            11  C1c C    20.5625  -16.8113
            12  C8y C    21.2603  -17.9976
            13  C8y C    21.2603  -15.6948
            14  C8x C    22.6560  -15.6948
            15  C8x C    23.2840  -14.5084
            16  C8x C    22.6560  -13.3221
            17  C8x C    21.2603  -13.3221
            18  C8x C    20.5625  -14.5084
            19  C8x C    20.6323  -19.1839
            20  C8x C    21.3301  -20.3702
            21  C8x C    22.6560  -20.3702
            22  C8x C    23.2840  -19.1839
            23  C8x C    22.6560  -17.9976
BOND        26
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     8   9 1 #Down
            9     4   5 1
            10    7   8 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   11  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   12  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   12  23 1

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