KEGG   DRUG: NeostigmineHelp
Entry
D08261                      Drug                                   

Name
Neostigmine (BAN);
Prostigmin (TN)
Formula
C12H19N2O2
Exact mass
223.1447
Mol weight
223.2915
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Other
 DG01719  Parasympathomimetic agent
Remark
Same as: C07258
ATC code: N07AA01 S01EB06
Chemical structure group: DG00987
Product (DG00987): D00995<JP> D00998<JP/US>
Efficacy
Acetylcholinesterase inhibitor
Comment
Reversible cholinesterase inhibitor
Physostigmine derivative
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa00564  Glycerophospholipid metabolism
hsa04725  Cholinergic synapse
Interaction
Drug 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
      D08261  Neostigmine (BAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB06 Neostigmine
      D08261  Neostigmine (BAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Neostigmine
    D08261  Neostigmine (BAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D08261  Neostigmine (BAN)
BRITE hierarchy
Other DBs
CAS: 59-99-4
PubChem: 96024949
ChEBI: 7514
ChEMBL: CHEMBL278020
DrugBank: DB01400
LigandBox: D08261
NIKKAJI: J4.797J
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    23.9400  -17.9200
            2   C8x C    25.1300  -17.2200
            3   C8x C    23.9400  -19.3200
            4   O7a O    22.7500  -17.2200
            5   C8y C    26.3200  -17.9200
            6   C8x C    25.1300  -19.9500
            7   C7a C    21.5600  -17.9200
            8   C8x C    26.3200  -19.3200
            9   N1d N    27.5100  -17.2200 #+
            10  N1c N    20.3700  -17.2200
            11  O6a O    21.5600  -19.3200
            12  C1a C    29.1200  -16.3100
            13  C1a C    26.8800  -16.1700
            14  C1a C    28.2800  -18.4100
            15  C1a C    19.1800  -17.9200
            16  C1a C    20.3700  -15.8900
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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