KEGG   DRUG: Oxapium iodideHelp
Entry
D01815                      Drug                                   

Name
Oxapium iodide (JP17/INN);
Espalexan (TN)
Formula
C22H34NO2. I
Exact mass
471.1634
Mol weight
471.4153
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
Efficacy
Antispasmodic, Muscarinic acetylcholine receptor antagonist
Comment
Quaternary ammonium compound
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04971  Gastric acid secretion
Interaction
Drug interaction
Structure map
map07038  Antiulcer drugs
map07220  Cholinergic and anticholinergic drugs
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D01815  Oxapium iodide (JP17/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01815  Oxapium iodide
BRITE hierarchy
Other DBs
CAS: 6577-41-9
PubChem: 7848877
ChEBI: 31942
ChEMBL: CHEMBL2107009
LigandBox: D01815
NIKKAJI: J327.469A
LinkDB All DBs
KCF data Show

ATOM        26
            1   X   I    16.3999  -21.9516 #-
            2   O2x O    19.2720  -18.5831
            3   C1y C    18.1379  -19.4076
            4   C1x C    18.5716  -20.7410
            5   O2x O    19.9737  -20.7406
            6   C1z C    20.4066  -19.4070
            7   C1y C    20.4066  -18.0049
            8   C8y C    21.6208  -20.1080
            9   C1b C    16.9361  -18.7233
            10  N2y N    15.7218  -19.4244 #+
            11  C1x C    14.5075  -18.7233
            12  C1x C    13.2933  -19.4244
            13  C1x C    13.2933  -20.8265
            14  C1x C    14.5075  -21.5276
            15  C1x C    15.7218  -20.8265
            16  C1a C    15.7218  -18.0223
            17  C1x C    21.6036  -17.3138
            18  C1x C    21.6038  -15.9117
            19  C1x C    20.3896  -15.2106
            20  C1x C    19.1925  -15.9016
            21  C1x C    19.1924  -17.3037
            22  C8x C    21.6208  -21.5101
            23  C8x C    22.8351  -22.2112
            24  C8x C    24.0494  -21.5101
            25  C8x C    24.0494  -20.1080
            26  C8x C    22.8351  -19.4070
BOND        28
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   6 1
            6     6   7 1
            7     6   8 1
            8     3   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  10 1
            16   10  16 1
            17    7  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22    7  21 1
            23    8  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28    8  26 1

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