KEGG   DRUG: Pipethanate ethobromideHelp
Entry
D01987                      Drug                                   

Name
Pipethanate ethobromide (JAN);
Panpurol (TN)
Formula
C23H30NO3. Br
Exact mass
447.1409
Mol weight
448.3932
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Activity
Antispasmodic, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Cholinergic synapse
Salivary secretion
Gastric acid secretion
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Pipethanate
      D01987  Pipethanate ethobromide (JAN)
BRITE hierarchy
Other DBs
CAS: 
23182-46-9
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   X   Br   29.3939  -21.4153 #-
            2   C1x C    16.2372  -19.9456
            3   N2y N    17.4493  -20.6455 #+
            4   C1b C    18.6615  -19.9456
            5   C1b C    19.8736  -20.6455
            6   O7a O    21.0856  -19.9456
            7   C7a C    22.2978  -20.6455
            8   C1d C    23.5099  -19.9456
            9   C8y C    24.7221  -20.6455
            10  C8x C    25.9343  -19.9456
            11  C1x C    15.0250  -20.6455
            12  C1x C    15.0250  -22.0452
            13  C1x C    16.2372  -22.7450
            14  C1x C    17.4493  -22.0452
            15  C8y C    23.5099  -18.5460
            16  C8x C    24.7262  -17.8438
            17  C8x C    24.7262  -16.4443
            18  C8x C    23.5139  -15.7444
            19  C8x C    22.2978  -16.4466
            20  C8x C    22.2978  -17.8461
            21  C8x C    24.7221  -22.0452
            22  C8x C    25.9343  -22.7450
            23  C8x C    27.1464  -22.0452
            24  C8x C    27.1464  -20.6455
            25  O1a O    24.7221  -19.2458
            26  O6a O    22.2978  -22.0449
            27  C1b C    17.4493  -19.2455
            28  C1a C    16.2244  -18.5382
BOND        29
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9     2  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14   3 1
            14    8  15 1
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   15  20 2
            21    9  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  10 2
            26    8  25 1
            27    7  26 2
            28    3  27 1
            29   27  28 1

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