KEGG   DRUG: Physostigmine sulfate
Entry
D03826                      Drug                                   

Name
Physostigmine sulfate (USP);
Eserine sulfate (TN)
Formula
(C15H21N3O2)2. H2SO4
Exact mass
648.2941
Mol weight
648.7708
Structure
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Remark
ATC code: S01EB05 V03AB19
Chemical structure group: DG01132
Efficacy
Acetylcholinesterase inhibitor (ophthalmic)
Comment
Reversible cholinesterase inhibitor
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa04725  Cholinergic synapse
Interaction
Structure map
map07056  Agents for Alzheimer-type dementia
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB05 Physostigmine
      D03826  Physostigmine sulfate (USP)
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB19 Physostigmine
      D03826  Physostigmine sulfate (USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D03826  Physostigmine sulfate (USP)
Other DBs
CAS: 64-47-1
PubChem: 17397912
ChEMBL: CHEMBL2105891
LigandBox: D03826
NIKKAJI: J252.884C
KCF data

ATOM        45
            1   C1z C    33.2500  -17.1500
            2   C8y C    31.9900  -17.5700
            3   C1y C    34.0900  -18.2700
            4   C1x C    34.0200  -16.0300
            5   C1a C    32.4100  -16.0300
            6   C8y C    31.9900  -18.9700
            7   C8x C    30.7300  -16.8700
            8   N1y N    33.2500  -19.3900
            9   N1y N    35.4200  -17.8500
            10  C1x C    35.4200  -16.4500
            11  C8x C    30.7300  -19.6700
            12  C8y C    29.5400  -17.5700
            13  C1a C    33.8100  -20.7200
            14  C8x C    29.5400  -18.9700
            15  O7a O    28.3500  -16.8700
            16  C7a C    27.0900  -17.5700
            17  N1b N    25.9000  -16.8700
            18  O6a O    27.0900  -18.9700
            19  C1a C    24.7100  -17.5700
            20  C1a C    36.4700  -18.6900
            21  S4a S    43.2600  -18.2000
            22  O1d O    44.6600  -18.2000
            23  O1d O    41.8600  -18.2000
            24  O1d O    43.2600  -16.8000
            25  O1d O    43.2600  -19.6000
            26  C1z C    33.2500  -17.1500
            27  C8y C    31.9900  -17.5700
            28  C8y C    31.9900  -18.9700
            29  N1y N    33.2500  -19.3900
            30  C1y C    34.0900  -18.2700
            31  N1y N    35.4200  -17.8500
            32  C1x C    35.4200  -16.4500
            33  C1x C    34.0200  -16.0300
            34  C1a C    36.4700  -18.6900
            35  C1a C    33.8100  -20.7200
            36  C8x C    30.7300  -19.6700
            37  C8x C    29.5400  -18.9700
            38  C8y C    29.5400  -17.5700
            39  C8x C    30.7300  -16.8700
            40  O7a O    28.3500  -16.8700
            41  C7a C    27.0900  -17.5700
            42  N1b N    25.9000  -16.8700
            43  C1a C    24.7100  -17.5700
            44  O6a O    27.0900  -18.9700
            45  C1a C    32.4100  -16.0300
BOND        48
            1    21  22 1
            2    21  23 1
            3    21  24 2
            4    21  25 2
            5    16  17 1
            6    16  18 2
            7    17  19 1
            8     6   8 1
            9     9  10 1
            10   12  14 2
            11    1   2 1
            12    1   3 1
            13    1   4 1
            14    1   5 1 #Up
            15    2   6 1
            16    2   7 2
            17    3   8 1
            18    3   9 1
            19    4  10 1
            20    6  11 2
            21    7  12 1
            22    8  13 1
            23   11  14 1
            24   12  15 1
            25   15  16 1
            26    9  20 1
            27   41  42 1
            28   41  44 2
            29   42  43 1
            30   28  29 1
            31   31  32 1
            32   38  37 2
            33   26  27 1
            34   26  30 1
            35   26  33 1
            36   26  45 1 #Up
            37   27  28 1
            38   27  39 2
            39   30  29 1
            40   30  31 1
            41   33  32 1
            42   28  36 2
            43   39  38 1
            44   29  35 1
            45   36  37 1
            46   38  40 1
            47   40  41 1
            48   31  34 1
BRACKET     1    22.1900  -21.4900   22.1900  -14.4900
            1    38.4300  -14.4900   38.4300  -21.4900
            1  2
 ORIGINAL  1    1   2   6   8   3  20   9  10   4  21  13  11  14  12   7  15
            1   16  17  19  18   5
 REPEAT    1   27  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42
            1   43  44  45  46  47

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