KEGG   DRUG: D00667Help
Entry
D00667                      Drug                                   

Name
Demecarium bromide (USP/INN);
Humorsol (TN)
Formula
C32H52N4O4. 2Br
Exact mass
714.2355
Mol weight
716.5877
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cholinergic [ophthalmic]
Remark
ATC code: 
Drug group: 
Target
acetylcholinesterase (AChE) inhibitor [HSA:43] [KO:K01049]
  Pathway
hsa00564  Glycerophospholipid metabolism
hsa04725  Cholinergic synapse  
 
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)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   acetylcholinesterase (AChE)
    Demecarium
     D00667  Demecarium bromide (USP/INN)
BRITE hierarchy
Other DBs
CAS: 
56-94-0
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

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

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