KEGG   DRUG: Pentapiperium methylsulfateHelp
Entry
D05418                      Drug                                   

Name
Pentapiperium methylsulfate (USAN);
Pentapiperium metilsulfate (INN)
Formula
C19H30NO2. CH3SO4
Exact mass
415.2029
Mol weight
415.5441
Structure
Mol fileKCF fileDB search
Efficacy
Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D05418  Pentapiperium methylsulfate (USAN)
BRITE hierarchy
Other DBs
CAS: 7681-80-3
PubChem: 47207090
ChEMBL: CHEMBL2107046
LigandBox: D05418
NIKKAJI: J244.753C
KCF data Show

ATOM        28
            1   C1c C    22.8900  -20.5100
            2   C1c C    24.0800  -21.1400
            3   C8y C    22.8900  -19.1100
            4   C7a C    21.7000  -21.2100
            5   C1b C    25.2700  -20.4400
            6   C1a C    24.1500  -22.5400
            7   C8x C    24.0100  -18.4100
            8   C8x C    21.6300  -18.4100
            9   O7a O    20.5100  -20.5100
            10  O6a O    21.7000  -22.6100
            11  C1a C    26.4600  -21.1400
            12  C8x C    24.0100  -17.0100
            13  C8x C    21.6300  -17.0800
            14  C1y C    19.3200  -21.2800
            15  C8x C    22.8200  -16.3800
            16  C1x C    18.1300  -20.5800
            17  C1x C    16.9400  -21.2800
            18  N2y N    16.8700  -22.6800 #+
            19  C1x C    18.1300  -23.3800
            20  C1x C    19.3200  -22.6100
            21  C1a C    15.4000  -23.3800
            22  C1a C    15.4700  -21.9800
            23  S4a S    30.9400  -21.2100
            24  O2a O    29.6100  -21.2100
            25  O1d O    30.9400  -22.6100
            26  O1d O    30.9400  -19.7400
            27  O1d O    32.2700  -21.2100 #-
            28  C1a C    28.9800  -20.0200
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   12  15 2
            15   13  15 1
            16   14  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   14  20 1
            22   18  21 1
            23   18  22 1
            24   23  24 1
            25   23  25 2
            26   23  26 2
            27   23  27 1
            28   24  28 1

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