KEGG   DRUG: Atropine sulfate
Entry
D02069                      Drug                                   
Name
Atropine sulfate (JP18/USP);
Isopto Atropine (TN)
Product
  Generic
Formula
(C17H23NO3)2. H2SO4. H2O
Exact mass
694.3135
Mol weight
694.8326
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Remark
Therapeutic category: 1242 1311 1318
ATC code: A03BA01 S01FA01
Chemical structure group: DG00052
Product (DG00052): D02069<JP/US>
Product (mixture): D00301<US> D02128<US> D09186<JP>
Efficacy
Antispasmodic, Mydriatic, Muscarinic acetylcholine receptor antagonist
Comment
Tropane derivative
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04971  Gastric acid secretion
Interaction
Structure map
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03B BELLADONNA AND DERIVATIVES, PLAIN
    A03BA Belladonna alkaloids, tertiary amines
     A03BA01 Atropine
      D02069  Atropine sulfate (JP18/USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01F MYDRIATICS AND CYCLOPLEGICS
    S01FA Anticholinergics
     S01FA01 Atropine
      D02069  Atropine sulfate (JP18/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
   124  Antispasmodics
    1242  Atropines
     D02069  Atropine sulfate (JP18/USP)
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1311  Mydriatic agents
     D02069  Atropine sulfate (JP18/USP)
    1318  Alkaloids
     D02069  Atropine sulfate (JP18/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG00052  Atropine
    D02069  Atropine sulfate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D02069  Atropine sulfate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02069  Atropine sulfate hydrate
  D02069  Atropine sulfate injection
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG00052  Atropine
Other DBs
CAS: 5908-99-6
PubChem: 7849131
LigandBox: D02069
KCF data

ATOM        48
            1   S4a S    30.5665  -18.3867
            2   O1d O    30.5665  -16.9867
            3   O1d O    30.5665  -19.7867
            4   O1d O    31.9665  -18.3867
            5   O1d O    29.1666  -18.3867
            6   O0  O    36.2599  -18.3400
            7   C1x C    15.7738  -18.5308
            8   C1x C    16.1019  -17.3591
            9   C1y C    16.9455  -18.2496
            10  C1y C    17.2736  -17.0779
            11  N1y N    16.0082  -15.7656
            12  C1x C    18.8202  -18.2496
            13  C1x C    18.5390  -17.0779
            14  C1y C    19.8513  -18.8120
            15  O7a O    20.9293  -19.7025
            16  C7a C    22.1479  -19.7025
            17  C1c C    22.7572  -18.6245
            18  O6a O    22.7572  -20.8273
            19  C8y C    23.9758  -18.6245
            20  C1b C    22.1479  -17.5934
            21  O1a O    22.7572  -16.5155
            22  C8x C    24.6820  -19.8482
            23  C8x C    26.0820  -19.8485
            24  C8x C    26.7822  -18.6362
            25  C8x C    26.0761  -17.4125
            26  C8x C    24.6761  -17.4122
            27  C1a C    15.2591  -14.5814
            28  C1x C    15.7738  -18.5308
            29  C1x C    16.1019  -17.3591
            30  C1y C    17.2736  -17.0779
            31  C1x C    18.5390  -17.0779
            32  C1y C    19.8513  -18.8120
            33  C1x C    18.8202  -18.2496
            34  C1y C    16.9455  -18.2496
            35  N1y N    16.0082  -15.7656
            36  C1a C    15.2591  -14.5814
            37  O7a O    20.9293  -19.7025
            38  C7a C    22.1479  -19.7025
            39  C1c C    22.7572  -18.6245
            40  C8y C    23.9758  -18.6245
            41  C8x C    24.6820  -19.8482
            42  C8x C    26.0820  -19.8485
            43  C8x C    26.7822  -18.6362
            44  C8x C    26.0761  -17.4125
            45  C8x C    24.6761  -17.4122
            46  C1b C    22.1479  -17.5934
            47  O1a O    22.7572  -16.5155
            48  O6a O    22.7572  -20.8273
BOND        50
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     7   8 1
            6     7   9 1
            7     8  10 1
            8     9  11 1
            9     9  12 1
            10   10  13 1
            11   12  14 1
            12   14  15 1 #Down
            13   15  16 1
            14   16  17 1
            15   16  18 2
            16   17  19 1
            17   17  20 1
            18   20  21 1
            19   10  11 1
            20   13  14 1
            21   19  22 2
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   19  26 1
            27   11  27 1
            28   28  29 1
            29   28  34 1
            30   29  30 1
            31   34  35 1
            32   34  33 1
            33   30  31 1
            34   33  32 1
            35   32  37 1 #Down
            36   37  38 1
            37   38  39 1
            38   38  48 2
            39   39  40 1
            40   39  46 1
            41   46  47 1
            42   30  35 1
            43   31  32 1
            44   40  41 2
            45   41  42 1
            46   42  43 2
            47   43  44 1
            48   44  45 2
            49   40  45 1
            50   35  36 1
BRACKET     1    13.2300  -21.3500   13.2300  -13.7200
            1    27.0900  -13.7200   27.0900  -21.3500
            1  2
 ORIGINAL  1    7   8  10  13  14  12   9  11  29  22  15  16  17  19  24  25
            1   26  27  28  20  21  18  23
 REPEAT    1   30  31  32  33  34  35  36  37  38  39  40  41  42  43  44  45
            1   46  47  48  49  50  51  52

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