| Entry |
|
|---|
| Name |
Tridihexethyl chloride (BAN);
Pathilon (TN) |
|---|
| Formula |
C21H36NO. Cl
|
|---|
| Exact mass |
353.2485
|
|---|
| Mol weight |
353.9696
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antispasmodic, Muscarinic acetylcholine receptor antagonist |
|---|
| Comment |
Quaternary ammonium compound
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| 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
A03AB08 Tridihexethyl
D00723 Tridihexethyl chloride (BAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
DG00037 Tridihexethyl
D00723 Tridihexethyl chloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM1
D00723 Tridihexethyl chloride (BAN)
CHRM2
D00723 Tridihexethyl chloride (BAN)
CHRM3
D00723 Tridihexethyl chloride (BAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
DG00037 Tridihexethyl
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 24
1 X Cl 14.6362 -9.4591 #-
2 C1a C 10.9813 -8.1054
3 C1b C 12.1927 -7.4059
4 N1d N 13.4043 -8.1054 #+
5 C1b C 14.6157 -7.4059
6 C1b C 15.8272 -8.1054
7 C1d C 17.0387 -7.4059
8 C8y C 18.2502 -8.1054
9 C8x C 19.4617 -7.4059
10 C8x C 20.6732 -8.1054
11 C8x C 18.2502 -9.5043
12 C8x C 19.4617 -10.2037
13 C8x C 20.6732 -9.5043
14 C1y C 17.0387 -6.0073
15 C1x C 18.2710 -5.2956
16 C1x C 18.2708 -3.8967
17 C1x C 17.0591 -3.1974
18 C1x C 15.8269 -3.9092
19 C1x C 15.8271 -5.3081
20 O1a O 18.2502 -6.7065
21 C1b C 13.4043 -9.5043
22 C1a C 12.2117 -10.1930
23 C1b C 13.4043 -6.7065
24 C1a C 12.4151 -5.7173
BOND 24
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 2
9 8 11 2
10 11 12 1
11 12 13 2
12 13 10 1
13 7 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 14 19 1
20 7 20 1
21 4 21 1
22 21 22 1
23 4 23 1
24 23 24 1
|
|---|
