KEGG   COMPOUND: C08200Help
Entry
C08200                      Compound                               

Name
Neostigmine methylsulfate
Formula
C12H19N2O2. CH3SO4
Exact mass
334.1199
Mol weight
334.3886
Structure
Mol fileKCF fileDB search
Remark
Same as: D00998
Brite
Target-based classification of compounds [BR:br08010]
 Enzymes
  Hydrolases
   ACHE; acetylcholinesterase
    C08200  Neostigmine methylsulfate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07A PARASYMPATHOMIMETICS
    N07AA Anticholinesterases
     N07AA01 Neostigmine
      D00998  Neostigmine methylsulfate (JP17/USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB06 Neostigmine
      D00998  Neostigmine methylsulfate (JP17/USP) <JP/US>
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
     D00998  Neostigmine methylsulfate (JP17/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for ophthalmologic use
  62 General eye drops
   D00998  Neostigmine methylsulfate (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Neostigmine
    D00998  Neostigmine methylsulfate (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D00998  Neostigmine methylsulfate (JP17/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00998  Neostigmine methylsulfate
  D00998  Neostigmine methylsulfate injection
Animal drugs in Japan [BR:br08331]
 91  Agents affecting nervous system
  917  Autonomic agents (Autonomics)
   9172  Neostigmine, derivatives and preparations
    C08200  Neostigmine methylsulfate
BRITE hierarchy
Other DBs
CAS: 51-60-5
PubChem: 10399
ChEBI: 7516
ChEMBL: CHEMBL211471
KCF data Show

ATOM        22
            1   C8y C    21.6932  -17.0217
            2   C8x C    22.9128  -16.3157
            3   C8x C    21.6932  -18.4279
            4   O7a O    20.4737  -16.3214
            5   C8y C    24.1207  -17.0217
            6   C8x C    22.9128  -19.1281
            7   C7a C    19.2600  -17.0274
            8   C8x C    24.1207  -18.4221
            9   N1d N    25.3402  -16.3157 #+
            10  N1c N    18.0405  -16.3274
            11  O6a O    19.2600  -18.4338
            12  C1a C    26.7988  -15.4637
            13  C1a C    24.6750  -15.2537
            14  C1a C    26.1630  -17.5234
            15  C1a C    16.8326  -17.0334
            16  C1a C    18.0405  -14.9210
            17  S4a S    32.9256  -16.8002
            18  O2a O    31.5601  -16.7943
            19  O1d O    32.8672  -15.1838
            20  O1d O    34.3086  -16.8002 #-
            21  C1a C    30.8191  -15.7089
            22  O1d O    32.9256  -18.2002
BOND        21
            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
            17   17  18 1
            18   17  19 2
            19   17  20 1
            20   18  21 1
            21   17  22 2

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