KEGG   DRUG: Neostigmine bromideHelp
Entry
D00995                      Drug                                   

Name
Neostigmine bromide (JAN/USP/INN);
Vagostigmin (TN)
Formula
C12H19N2O2. Br
Exact mass
302.063
Mol weight
303.1955
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Other
 DG01719  Parasympathomimetic agent
Remark
Same as: 
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Acetylcholinesterase inhibitor
Comment
Physostigmine derivative
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
Glycerophospholipid metabolism
Cholinergic synapse
Interaction
Drug interaction
Structure map
Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07A PARASYMPATHOMIMETICS
    N07AA Anticholinesterases
     N07AA01 Neostigmine
      D00995  Neostigmine bromide (JAN/USP/INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB06 Neostigmine
      D00995  Neostigmine bromide (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  12  Agents affecting peripheral nervous system
   123  Autonomic nervous system agents
    1233  Neostigmines
     D00995  Neostigmine bromide (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   acetylcholinesterase (AChE)
    Neostigmine
     D00995  Neostigmine bromide (JAN/USP/INN)
BRITE hierarchy
Other DBs
CAS: 
114-80-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C8y C    23.6886  -16.9984
            2   C8x C    24.9088  -16.2918
            3   C8x C    23.6943  -18.4055
            4   O7a O    22.4740  -16.2978
            5   C8y C    26.1232  -16.9984
            6   C8x C    24.9088  -19.1061
            7   C7a C    21.2597  -17.0042
            8   C8x C    26.1232  -18.3997
            9   N1d N    27.3435  -16.2918 #+
            10  N1c N    20.0394  -16.3035
            11  O6a O    21.2597  -18.4114
            12  C1a C    28.5228  -15.5096
            13  C1a C    26.6779  -15.2294
            14  C1a C    28.1667  -17.5004
            15  C1a C    18.8308  -17.0101
            16  C1a C    20.0394  -14.8965
            17  X   Br   31.2903  -17.3137 #-
BOND        16
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     7  10 1
            10    7  11 2
            11    9  12 1
            12    9  13 1
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16    6   8 1

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