KEGG   DRUG: D07951Help
Entry
D07951                      Drug                                   

Name
Fentonium bromide (INN);
Ulcesium (TN)
Formula
C31H34NO4. Br
Exact mass
563.1671
Mol weight
564.51
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antispasmodic;
Parasympatholytic
Remark
ATC code: 
Target
muscarinic cholinergic receptor antagonist [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion  
 
Interaction
Drug interaction
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
     A03BB04 Fentonium
      D07951  Fentonium bromide (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Fentonium
      D07951  Fentonium bromide (INN)
BRITE hierarchy
Other DBs
CAS: 
5868-06-4
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C1y C    23.8000  -18.6900
            2   C1x C    22.8200  -17.1500
            3   C1x C    22.8200  -18.2000
            4   C1y C    21.3500  -17.1500
            5   C1y C    21.2800  -18.2000
            6   N2y N    20.5100  -16.2400 #+
            7   C1x C    20.3000  -17.7800
            8   C1x C    19.8100  -18.8300
            9   C1a C    20.5100  -14.7700
            10  O7a O    23.8000  -20.0900
            11  C7a C    25.0124  -20.7900
            12  C1c C    26.2079  -20.0996
            13  C8y C    27.3953  -20.7851
            14  C1b C    26.2080  -18.6903
            15  O1a O    27.4205  -17.9903
            16  C8x C    27.3954  -22.1898
            17  C8x C    28.6079  -22.8897
            18  C8x C    29.8203  -22.1896
            19  C8x C    29.8201  -20.7849
            20  C8x C    28.6076  -20.0850
            21  O6a O    25.0125  -22.1898
            22  C1b C    19.2976  -16.9400
            23  C5a C    18.1021  -16.2496
            24  C8y C    16.9147  -16.9351
            25  O5a O    18.1020  -14.8403
            26  C8x C    15.7235  -16.2471
            27  C8x C    14.5110  -16.9469
            28  C8y C    14.5108  -18.3469
            29  C8x C    15.7020  -19.0349
            30  C8x C    16.9145  -18.3351
            31  C8y C    13.2858  -19.0541
            32  C8x C    12.0781  -18.3567
            33  C8x C    10.8656  -19.0566
            34  C8x C    10.8655  -20.4566
            35  C8x C    12.0733  -21.1541
            36  C8x C    13.2858  -20.4541
            37  X   Br   23.8000  -13.7200 #-
BOND        40
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1
            7     5   8 1
            8     5   6 1
            9     7   8 1
            10    6   9 1
            11    1  10 1 #Down
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   12  14 1
            16   14  15 1
            17   13  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   13  20 1
            23   11  21 2
            24    6  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 2
            28   24  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   24  30 1
            34   28  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   35  36 2
            40   31  36 1

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