KEGG   DRUG: Physostigmine salicylate
Entry
D02418                      Drug                                   
Name
Physostigmine salicylate (JAN/USP);
Antilirium (TN)
Formula
C15H21N3O2. C7H6O3
Exact mass
413.1951
Mol weight
413.4669
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Ophthalmic agent
 DG03201  Intraocular pressure lowering agent
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
      D02418  Physostigmine salicylate (JAN/USP)
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB19 Physostigmine
      D02418  Physostigmine salicylate (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG01132  Physostigmine
     D02418  Physostigmine salicylate
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01132  Physostigmine
    D02418  Physostigmine salicylate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D02418  Physostigmine salicylate (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG01132  Physostigmine
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01132  Physostigmine
Other DBs
CAS: 57-64-7
PubChem: 7849476
ChEBI: 48883
LigandBox: D02418
NIKKAJI: J237.473K
KCF data

ATOM        30
            1   C1z C    31.2756  -15.7794
            2   C8y C    29.9756  -16.1973
            3   C1y C    32.1113  -16.8472
            4   C1x C    32.0649  -14.6186
            5   C1a C    30.4399  -14.6652
            6   C8y C    29.9755  -17.5901
            7   C8x C    28.7686  -15.5009
            8   N1y N    31.2756  -18.0080
            9   N1y N    33.4113  -16.4760
            10  C1x C    33.4113  -15.0830
            11  C8x C    28.7686  -18.2866
            12  C8y C    27.5613  -16.1973
            13  C1a C    31.8328  -19.3080
            14  C8x C    27.5613  -17.5901
            15  O7a O    26.3542  -15.5009
            16  C7a C    25.1471  -16.1973
            17  N1b N    23.9400  -15.5009
            18  O6a O    25.1471  -17.5901
            19  C1a C    22.7328  -16.1973
            20  C1a C    34.5007  -17.5770
            21  C8y C    38.8991  -16.9805
            22  C8y C    40.1059  -17.6769
            23  C8x C    37.6922  -17.6769
            24  C6a C    38.8991  -15.5882
            25  C8x C    40.1059  -19.0696
            26  O1a O    41.3592  -16.9805
            27  C8x C    37.6922  -19.0696
            28  O6a O    40.0595  -14.8919
            29  O6a O    37.6922  -14.8919
            30  C8x C    38.8991  -19.7657
BOND        32
            1    16  17 1
            2    16  18 2
            3    17  19 1
            4     6   8 1
            5     9  10 1
            6    12  14 2
            7     1   2 1
            8     1   3 1
            9     1   4 1
            10    1   5 1 #Up
            11    2   6 1
            12    2   7 2
            13    3   8 1
            14    3   9 1
            15    4  10 1
            16    6  11 2
            17    7  12 1
            18    8  13 1
            19   11  14 1
            20   12  15 1
            21   15  16 1
            22    9  20 1
            23   21  22 1
            24   21  23 2
            25   21  24 1
            26   22  25 2
            27   22  26 1
            28   23  27 1
            29   24  28 1
            30   24  29 2
            31   25  30 1
            32   27  30 2

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KEGG   DRUG: Physostigmine
Entry
D00196                      Drug                                   
Name
Physostigmine (USP);
Eserine (TN)
Formula
C15H21N3O2
Exact mass
275.1634
Mol weight
275.3461
Structure
Simcomp
Source
Physostigma venenosum [TAX:271807]
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Ophthalmic agent
 DG03201  Intraocular pressure lowering agent
Remark
Same as: C06535
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
      D00196  Physostigmine (USP)
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB19 Physostigmine
      D00196  Physostigmine (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG01132  Physostigmine
     D00196  Physostigmine
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01132  Physostigmine
    D00196  Physostigmine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D00196  Physostigmine (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG01132  Physostigmine
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01132  Physostigmine
Other DBs
CAS: 57-47-6
PubChem: 7847264
ChEBI: 27953
LigandBox: D00196
NIKKAJI: J4.579I
KCF data

ATOM        20
            1   C1z C    26.2112  -14.1214
            2   C8y C    24.9526  -14.5409
            3   C1y C    27.0503  -15.2402
            4   C1x C    27.0503  -12.9326
            5   C1a C    25.3721  -13.0026
            6   C8y C    24.9526  -15.9395
            7   C8x C    23.6939  -13.8417
            8   N1y N    26.2112  -16.3591
            9   N1y N    28.3789  -14.8206
            10  C1x C    28.3789  -13.3522
            11  C8x C    23.6939  -16.6388
            12  C8y C    22.4353  -14.5409
            13  C1a C    26.6308  -17.6877
            14  C8x C    22.4353  -15.9395
            15  O7a O    21.2465  -13.8417
            16  C7a C    20.0578  -14.5409
            17  N1b N    18.8690  -13.8417
            18  O6a O    20.0578  -15.9395
            19  C1a C    17.6103  -14.5409
            20  C1a C    29.4977  -15.5899
BOND        22
            1    16  17 1
            2    16  18 2
            3    17  19 1
            4     6   8 1
            5     9  10 1
            6    12  14 1
            7     1   2 1
            8     1   3 1
            9     1   4 1
            10    1   5 1 #Up
            11    2   6 2
            12    2   7 1
            13    3   8 1
            14    3   9 1
            15    4  10 1
            16    6  11 1
            17    7  12 2
            18    8  13 1
            19   11  14 2
            20   12  15 1
            21   15  16 1
            22    9  20 1

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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
Ophthalmic agent
 DG03201  Intraocular pressure lowering agent
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)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG01132  Physostigmine
     D03826  Physostigmine sulfate
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01132  Physostigmine
    D03826  Physostigmine sulfate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D03826  Physostigmine sulfate (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG01132  Physostigmine
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01132  Physostigmine
Other DBs
CAS: 64-47-1
PubChem: 17397912
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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