KEGG   DRUG: PhysostigmineHelp
Entry
D00196                      Drug                                   

Name
Physostigmine (USP);
Eserine (TN)
Formula
C15H21N3O2
Exact mass
275.1634
Mol weight
275.3461
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Physostigma venenosum [TAX:271807]
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
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
Drug 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)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D00196  Physostigmine (USP)
BRITE hierarchy
Other DBs
CAS: 57-47-6
PubChem: 7847264
ChEBI: 27953
ChEMBL: CHEMBL94
DrugBank: DB00981
LigandBox: D00196
NIKKAJI: J4.579I
KCF data Show

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 salicylateHelp
Entry
D02418                      Drug                                   

Name
Physostigmine salicylate (JAN/USP);
Antilirium (TN)
Formula
C15H21N3O2. C7H6O3
Exact mass
413.1951
Mol weight
413.4669
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
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
Drug 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)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D02418  Physostigmine salicylate (JAN/USP)
BRITE hierarchy
Other DBs
CAS: 57-64-7
PubChem: 7849476
ChEBI: 48883
ChEMBL: CHEMBL338975
DrugBank: DB00981
LigandBox: D02418
NIKKAJI: J237.473K
KCF data Show

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

» Japanese version   » Back

KEGG   DRUG: Physostigmine sulfateHelp
Entry
D03826                      Drug                                   

Name
Physostigmine sulfate (USP);
Eserine sulfate (TN)
Formula
(C15H21N3O2)2. H2SO4
Exact mass
648.2941
Mol weight
648.7708
Structure
Mol fileKCF fileDB search
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
Drug 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)
BRITE hierarchy
Other DBs
CAS: 64-47-1
PubChem: 17397912
ChEMBL: CHEMBL2105891
LigandBox: D03826
NIKKAJI: J252.884C
KCF data Show

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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