KEGG   DRUG: N-Methylscopolamine methylsulfateHelp
Entry
D01976                      Drug                                   

Name
N-Methylscopolamine methylsulfate (JAN);
Daipin (TN)
Formula
C18H24NO4. CH3SO4
Exact mass
429.1457
Mol weight
429.4846
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Remark
Therapeutic category: 1242
ATC code: A03BB03 S01FA03
Product: D01976<JP>
Efficacy
Antispasmodic, 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
Drug 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
    A03BB Belladonna alkaloids, semisynthetic, quaternary ammonium compounds
     A03BB03 Methylscopolamine
      D01976  N-Methylscopolamine methylsulfate (JAN) <JP>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01F MYDRIATICS AND CYCLOPLEGICS
    S01FA Anticholinergics
     S01FA03 Methylscopolamine
      D01976  N-Methylscopolamine methylsulfate (JAN) <JP>
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
     D01976  N-Methylscopolamine methylsulfate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Methylscopolamine
    D01976  N-Methylscopolamine methylsulfate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D01976  N-Methylscopolamine methylsulfate (JAN) <JP>
BRITE hierarchy
Other DBs
CAS: 18067-13-5
PubChem: 7849038
DrugBank: DB00462
LigandBox: D01976
NIKKAJI: J262.792B
KCF data Show

ATOM        29
            1   S4a S    39.6319  -17.9313
            2   O1d O    39.6319  -16.5837
            3   O1d O    39.6319  -19.2787
            4   O1d O    40.9795  -17.9313 #-
            5   O2a O    38.2844  -17.9313
            6   C1a C    37.6105  -16.7641
            7   C1y C    24.8054  -16.9368
            8   C1y C    24.1561  -18.0208
            9   C1y C    25.7089  -16.6092
            10  O2x O    23.2583  -16.9364
            11  C1y C    25.4489  -17.5013
            12  N2y N    24.7376  -15.5816 #+
            13  C1x C    27.1825  -16.6036
            14  C1x C    27.1203  -17.5013
            15  C1a C    25.0594  -14.3507
            16  C1a C    23.4559  -14.9324
            17  C1y C    28.4134  -18.0829
            18  O7a O    29.4298  -18.8509
            19  C7a C    30.7776  -18.8509
            20  O6a O    31.4495  -20.0148
            21  C1c C    31.4463  -17.6926
            22  C8y C    32.7850  -17.6927
            23  C1b C    30.7770  -16.5338
            24  O1a O    31.4349  -15.3947
            25  C8x C    33.4660  -18.8722
            26  C8x C    34.8139  -18.8722
            27  C8x C    35.4877  -17.7048
            28  C8x C    34.8067  -16.5254
            29  C8x C    33.4589  -16.5254
BOND        31
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     5   6 1
            6     7   8 1
            7     7   9 1
            8     7  10 1
            9     8  11 1
            10    9  12 1
            11    9  13 1
            12   11  14 1
            13   12  15 1
            14   12  16 1
            15   13  17 1
            16   17  18 1 #Down
            17    8  10 1
            18   11  12 1
            19   14  17 1
            20   18  19 1
            21   19  20 2
            22   19  21 1
            23   21  22 1 #Down
            24   21  23 1
            25   23  24 1
            26   22  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   22  29 1

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