KEGG   DRUG: Scopolamine butylbromideHelp
Entry
D01451                      Drug                                   

Name
Scopolamine butylbromide (JP17);
Butylscopolamine bromide;
Buscopan (TN)
Formula
C21H30NO4. Br
Exact mass
439.1358
Mol weight
440.3712
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
Remark
Therapeutic category: 1242
ATC code: A03BB01
Product: D01451<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
map07038  Antiulcer drugs
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
     A03BB01 Butylscopolamine
      D01451  Scopolamine butylbromide (JP17) <JP>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Antispasmodics, Gastrointestinal
   Scopolamine
    D01451  Scopolamine butylbromide (JP17)
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
     D01451  Scopolamine butylbromide (JP17)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  15 Stomach pain and cramp relievers
   D01451  Scopolamine butylbromide (JP17)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Scopolamine butylbromide
    D01451  Scopolamine butylbromide (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D01451  Scopolamine butylbromide (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01451  Scopolamine butylbromide
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D01451
Rx-to-OTC switch list in Japan [br08314.html]
 D01451
BRITE hierarchy
Other DBs
CAS: 149-64-4
PubChem: 7848514
ChEBI: 32123
LigandBox: D01451
NIKKAJI: J363.295D
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    18.3400   -7.5600
            2   C1y C    18.6200   -6.3700
            3   C1y C    19.4600   -7.2800
            4   O2x O    17.2900   -6.1600
            5   C1y C    19.8100   -6.0900
            6   N2y N    18.5500   -4.7600 #+
            7   C1x C    21.3500   -7.2800
            8   C1x C    21.0700   -6.0900
            9   C1y C    22.3300   -7.7700
            10  O7a O    23.3800   -8.6800
            11  C7a C    24.7800   -8.6800
            12  O6a O    25.4800   -9.8700
            13  C1c C    25.4800   -7.4900
            14  C8y C    26.8800   -7.4900
            15  C8x C    27.5800   -8.6800
            16  C8x C    28.9800   -8.6800
            17  C8x C    29.6800   -7.4900
            18  C8x C    28.9800   -6.3000
            19  C8x C    27.5800   -6.3000
            20  C1b C    24.7800   -6.2300
            21  O1a O    25.4800   -5.0400
            22  C1b C    17.2891   -5.3683
            23  C1b C    16.1425   -4.5880
            24  C1a C    18.5500   -3.3600
            25  C1b C    14.8921   -5.1918
            26  C1a C    13.7415   -4.4089
            27  X   Br   16.4500   -3.0800 #-
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     5   8 1
            8     7   9 1
            9     9  10 1 #Down
            10    2   4 1
            11    5   6 1
            12    8   9 1
            13   10  11 1
            14   11  12 2
            15   11  13 1
            16   13  14 1
            17   14  15 2
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   14  19 1
            23   13  20 1 #Down
            24   20  21 1
            25    6  22 1
            26   22  23 1
            27    6  24 1
            28   23  25 1
            29   25  26 1

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