KEGG   DRUG: Bevonium methylsulfateHelp
Entry
D01532                      Drug                                   

Name
Bevonium methylsulfate (JAN);
Bevonium metilsulfate (INN);
Bevonium methyl sulfate
Formula
C22H28NO3. CH3SO4
Exact mass
465.1821
Mol weight
465.5597
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: A03AB13
Efficacy
Muscarinic acetylcholine receptor antagonist
Comment
Quaternary ammonium compound
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AB Synthetic anticholinergics, quaternary ammonium compounds
     A03AB13 Bevonium
      D01532  Bevonium methylsulfate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D01532  Bevonium methylsulfate (JAN)
BRITE hierarchy
Other DBs
CAS: 5205-82-3
PubChem: 7848595
ChEBI: 31283
ChEMBL: CHEMBL2106080
LigandBox: D01532
NIKKAJI: J244.007E
KCF data Show

ATOM        32
            1   C8x C    19.8890  -18.4372
            2   C8x C    19.8890  -19.8393
            3   C8x C    21.1062  -20.5404
            4   C8x C    22.3162  -19.8393
            5   C8y C    22.3162  -18.4372
            6   C8x C    21.1062  -17.7363
            7   C1d C    23.5310  -17.7373
            8   C8y C    24.7447  -18.4391
            9   C7a C    23.5320  -16.3352
            10  C8x C    24.7381  -19.8391
            11  C8x C    25.9518  -20.5412
            12  C8x C    27.1664  -19.8410
            13  C8x C    27.1674  -18.4389
            14  C8x C    25.9538  -17.7371
            15  O7a O    24.7467  -15.6351
            16  O6a O    22.3184  -15.6333
            17  C1b C    24.7478  -14.2330
            18  C1y C    25.9625  -13.5329
            19  N2y N    27.1708  -14.2381 #+
            20  C1x C    28.3855  -13.5380
            21  C1x C    28.3866  -12.1359
            22  C1x C    27.1730  -11.4342
            23  C1x C    25.9583  -12.1341
            24  C1a C    25.9505  -14.9253
            25  C1a C    28.3793  -14.9322
            26  O1a O    22.3185  -17.0373
            27  S4a S    32.9136  -18.6860
            28  O1d O    32.9136  -17.2842
            29  O1d O    32.9136  -20.0877
            30  O2a O    31.5118  -18.6860
            31  O1d O    34.3152  -18.6860 #-
            32  C1a C    30.8311  -17.5066
BOND        33
            1     5   7 1
            2     9  15 1
            3     9  16 2
            4     7   8 1
            5    15  17 1
            6     1   2 2
            7    17  18 1
            8     7   9 1
            9     2   3 1
            10    3   4 2
            11    4   5 1
            12    5   6 2
            13   18  19 1
            14   19  20 1
            15   20  21 1
            16   21  22 1
            17   22  23 1
            18   23  18 1
            19    6   1 1
            20   19  24 1
            21    8  10 2
            22   19  25 1
            23   10  11 1
            24   11  12 2
            25   12  13 1
            26   13  14 2
            27   14   8 1
            28    7  26 1
            29   27  28 2
            30   27  29 2
            31   27  30 1
            32   27  31 1
            33   30  32 1

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