KEGG   DRUG: Demecarium bromide
Entry
D00667                      Drug                                   
Name
Demecarium bromide (USP/INN);
Humorsol (TN)
Formula
C32H52N4O4. 2Br
Exact mass
714.2355
Mol weight
716.5877
Structure
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Ophthalmic agent
 DG03201  Intraocular pressure lowering agent
Remark
ATC code: S01EB04
Efficacy
Antiglaucoma, Miotic, Acetylcholinesterase inhibitor
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa04725  Cholinergic synapse
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB04 Demecarium
      D00667  Demecarium bromide (USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    D00667  Demecarium bromide
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   D00667  Demecarium bromide
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D00667  Demecarium bromide (USP/INN)
Other DBs
CAS: 56-94-0
PubChem: 7847733
ChEBI: 4391
LigandBox: D00667
NIKKAJI: J231.261A
LinkDB
KCF data

ATOM        42
            1   C8y C    32.0606  -17.1460
            2   C8x C    33.2672  -16.4457
            3   O7a O    30.8623  -16.4457
            4   C8x C    32.0606  -18.5381
            5   C8y C    34.4652  -17.1460
            6   C7a C    29.6474  -17.1460
            7   C8x C    33.2672  -19.2300
            8   C8x C    34.4738  -18.5381
            9   N1d N    35.6718  -16.4457 #+
            10  N1c N    28.4492  -16.4457
            11  O6a O    29.6474  -18.5381
            12  C1a C    36.4059  -17.5593
            13  C1a C    34.9208  -15.2391
            14  C1a C    36.8280  -15.6610
            15  C1b C    27.2512  -17.1460
            16  C1a C    28.4409  -15.0619
            17  C1b C    26.0612  -16.4457
            18  C1b C    24.8632  -17.1460
            19  C1b C    23.6818  -16.4457
            20  C1b C    22.4838  -17.1374
            21  C1b C    21.2855  -16.4457
            22  C1b C    20.0958  -17.1374
            23  C1b C    18.9061  -16.4457
            24  C1b C    17.7081  -17.1374
            25  C1b C    16.5099  -16.4371
            26  N1c N    15.3033  -17.1374
            27  C7a C    14.0967  -16.4371
            28  C1a C    15.3033  -18.5297
            29  O7a O    12.8901  -17.1374
            30  O6a O    14.0967  -15.0534
            31  C8y C    11.6835  -16.4371
            32  C8x C    10.4853  -17.1460
            33  C8x C    11.6919  -15.0534
            34  C8y C     9.2873  -16.4457
            35  C8x C    10.4853  -14.3614
            36  C8x C     9.2873  -15.0534
            37  N1d N     8.0807  -17.1460 #+
            38  C1a C     6.7897  -17.8377
            39  C1a C     8.7555  -18.5466
            40  C1a C     7.2791  -15.7285
            41  X   Br   15.1937  -13.6021 #-
            42  X   Br   30.1789  -20.4535 #-
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 2
            11    9  12 1
            12    9  13 1
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   15  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 2
            30   29  31 1
            31   31  32 1
            32   31  33 2
            33   32  34 2
            34   33  35 1
            35   34  36 1
            36   34  37 1
            37   37  38 1
            38   37  39 1
            39   37  40 1
            40    7   8 2
            41   35  36 2

» Japanese version   » Back

DBGET integrated database retrieval system