KEGG   DRUG: Neostigmine bromide
Entry
D00995                      Drug                                   

Name
Neostigmine bromide (JAN/USP/INN);
Vagostigmin (TN)
Formula
C12H19N2O2. Br
Exact mass
302.063
Mol weight
303.1955
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Other
 DG01719  Parasympathomimetic agent
Remark
Same as: C08197
Therapeutic category: 1233
ATC code: N07AA01 S01EB06
Chemical structure group: DG00987
Product (DG00987): D00995<JP> D00998<JP/US>
Efficacy
Parasympathomimetic, Acetylcholinesterase inhibitor
Comment
Physostigmine derivative
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa00564  Glycerophospholipid metabolism
hsa04725  Cholinergic synapse
Interaction
Structure map
map07220  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) <JP>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB06 Neostigmine
      D00995  Neostigmine bromide (JAN/USP/INN) <JP>
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 (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D00995  Neostigmine bromide (JAN/USP/INN) <JP>
Other DBs
CAS: 114-80-7
PubChem: 7848058
ChEBI: 179557
ChEMBL: CHEMBL54126
LigandBox: D00995
NIKKAJI: J139.050C
LinkDB
KCF data

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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