KEGG   COMPOUND: C07258Help
Entry
C07258                      Compound                               

Name
Neostigmine
Formula
C12H19N2O2
Exact mass
223.1447
Mol weight
223.2915
Structure
Mol fileKCF fileDB search
Remark
Same as: D08261
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: 9467
ChEBI: 7514
ChEMBL: CHEMBL278020
NIKKAJI: J4.797J
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    31.8354  -17.1460
            2   C8x C    33.0295  -16.4546
            3   C8x C    31.8411  -18.5227
            4   O7a O    30.6472  -16.4603
            5   C8y C    34.2177  -17.1460
            6   C8x C    33.0295  -19.2083
            7   C7a C    29.4588  -17.1516
            8   C8x C    34.2177  -18.5171
            9   N1d N    35.4117  -16.4546 #+
            10  N1c N    28.2647  -16.4660
            11  O6a O    29.4588  -18.5285
            12  C1a C    37.0453  -15.5522
            13  C1a C    34.7604  -15.4148
            14  C1a C    36.2172  -17.6372
            15  C1a C    27.0821  -17.1574
            16  C1a C    28.2647  -15.0892
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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