Entry |
|
Name |
Diphenylpiperidinomethyldioxolan iodide (JAN); Anacolin; Gastrophyllin-A (TN) |
Formula |
C22H28NO2. I
|
Exact mass |
465.1165
|
Mol weight |
465.37
|
Structure |
|
Simcomp |
|
Class |
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
|
Efficacy |
Antispasmodic |
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Interaction |
|
Structure map |
map07220 | Cholinergic and anticholinergic drugs |
|
Brite |
Risk category of Japanese OTC drugs [BR:br08312]
Second-class OTC drugs
Inorganic and organic chemicals
Diphenylpiperidinomethyldioxolan iodide
D01600 Diphenylpiperidinomethyldioxolan iodide (JAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
D01600 Diphenylpiperidinomethyldioxolan iodide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D01600 Diphenylpiperidinomethyldioxolan iodide (JAN)
|
Other DBs |
|
KCF data |
ATOM 26
1 X I 11.7622 -25.4134 #-
2 O2x O 14.6300 -22.0500
3 C1y C 13.4976 -22.8732
4 C1x C 13.9307 -24.2046
5 O2x O 15.3307 -24.2042
6 C1z C 15.7629 -22.8726
7 C8y C 15.7629 -21.4726
8 C8y C 16.9753 -23.5726
9 C1b C 12.2976 -22.1900
10 N2y N 11.0851 -22.8900 #+
11 C1x C 9.8727 -22.1900
12 C1x C 8.6603 -22.8900
13 C1x C 8.6603 -24.2900
14 C1x C 9.8727 -24.9900
15 C1x C 11.0851 -24.2900
16 C1a C 11.0851 -21.4900
17 C8x C 16.9581 -20.7826
18 C8x C 16.9583 -19.3826
19 C8x C 15.7459 -18.6825
20 C8x C 14.5506 -19.3725
21 C8x C 14.5505 -20.7725
22 C8x C 16.9753 -24.9726
23 C8x C 18.1878 -25.6726
24 C8x C 19.4002 -24.9726
25 C8x C 19.4002 -23.5726
26 C8x C 18.1878 -22.8726
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 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
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
|