KEGG   DRUG: Otilonium bromideHelp
Entry
D07083                      Drug                                   

Name
Otilonium bromide (INN)
Formula
C29H43N2O4. Br
Exact mass
562.2406
Mol weight
563.5667
Structure
Mol fileKCF fileDB search
Remark
ATC code: A03AB06
Efficacy
Antispasmodic, Muscarinic acetylcholine receptor antagonist
Comment
Quaternary ammonium compound
Target
  Pathway
hsa04020  Calcium signaling 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
     A03AB06 Otilonium bromide
      D07083  Otilonium bromide (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D07083  Otilonium bromide (INN)
BRITE hierarchy
Other DBs
CAS: 26095-59-0
PubChem: 51091425
ChEMBL: CHEMBL2103773
LigandBox: D07083
NIKKAJI: J311.408B
LinkDB All DBs
KCF data Show

ATOM        36
            1   C8x C    37.3905  -17.3360
            2   C8x C    37.3907  -15.9392
            3   C8x C    36.1813  -15.2408
            4   C8y C    34.9715  -15.9389
            5   C8y C    34.9713  -17.3357
            6   C8x C    36.1810  -18.0343
            7   O2a O    33.7369  -15.2405
            8   C1b C    32.5271  -15.9387
            9   C1b C    31.3176  -15.2403
            10  C1b C    30.1079  -15.9385
            11  C1b C    28.8983  -15.2400
            12  C1b C    27.6886  -15.9383
            13  C1b C    26.4791  -15.2398
            14  C1b C    25.2693  -15.9381
            15  C1a C    24.0598  -15.2395
            16  C5a C    33.7366  -18.0340
            17  N1b N    32.5269  -17.3355
            18  C8y C    31.3173  -18.0338
            19  O5a O    33.7303  -19.4305
            20  C8x C    30.1056  -17.3340
            21  C8x C    28.8960  -18.0324
            22  C8y C    28.8958  -19.4292
            23  C8x C    30.1075  -20.1288
            24  C8x C    31.3171  -19.4306
            25  C7a C    27.6604  -20.1286
            26  O7a O    26.4508  -19.4301
            27  C1b C    25.2412  -20.1284
            28  C1b C    24.0316  -19.4298
            29  N1d N    22.8219  -20.1281 #+
            30  O6a O    27.6544  -21.5250
            31  C1b C    22.1189  -18.9104
            32  C1a C    21.6043  -20.8311
            33  C1b C    23.5249  -21.3457
            34  C1a C    20.7274  -18.9103
            35  C1a C    22.8218  -22.5635
            36  X   Br   16.4388  -20.1274 #-
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    5  16 1
            17   16  17 1
            18   17  18 1
            19   16  19 2
            20   18  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   18  24 1
            26   22  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   25  30 2
            32   29  31 1
            33   29  32 1
            34   29  33 1
            35   31  34 1
            36   33  35 1

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