| Entry |
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| Name |
N-Methylscopolamine methylsulfate (JAN);
Daipin (TN) |
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| Formula |
C18H24NO4. CH3SO4
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| Exact mass |
429.1457
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| Mol weight |
429.49
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| Structure |
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| Simcomp |
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| Class |
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
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| Remark |
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| Efficacy |
Antispasmodic, Muscarinic acetylcholine receptor antagonist |
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| Comment |
Tropane derivative
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| Target |
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
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| Interaction |
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| Structure map |
| map07220 | Cholinergic and anticholinergic drugs |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03B BELLADONNA AND DERIVATIVES, PLAIN
A03BB Belladonna alkaloids, semisynthetic, quaternary ammonium compounds
A03BB03 Methylscopolamine
D01976 N-Methylscopolamine methylsulfate (JAN)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01F MYDRIATICS AND CYCLOPLEGICS
S01FA Anticholinergics
S01FA03 Methylscopolamine
D01976 N-Methylscopolamine methylsulfate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
Second-class OTC drugs
Inorganic and organic chemicals
Methylscopolamine
D01976 N-Methylscopolamine methylsulfate (JAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
D01976 N-Methylscopolamine methylsulfate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D01976 N-Methylscopolamine methylsulfate (JAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 S4a S 39.6319 -17.9313
2 O1d O 39.6319 -16.5837
3 O1d O 39.6319 -19.2787
4 O1d O 40.9795 -17.9313 #-
5 O2a O 38.2844 -17.9313
6 C1a C 37.6105 -16.7641
7 C1y C 24.8054 -16.9368
8 C1y C 24.1561 -18.0208
9 C1y C 25.7089 -16.6092
10 O2x O 23.2583 -16.9364
11 C1y C 25.4489 -17.5013
12 N2y N 24.7376 -15.5816 #+
13 C1x C 27.1825 -16.6036
14 C1x C 27.1203 -17.5013
15 C1a C 25.0594 -14.3507
16 C1a C 23.4559 -14.9324
17 C1y C 28.4134 -18.0829
18 O7a O 29.4298 -18.8509
19 C7a C 30.7776 -18.8509
20 O6a O 31.4495 -20.0148
21 C1c C 31.4463 -17.6926
22 C8y C 32.7850 -17.6927
23 C1b C 30.7770 -16.5338
24 O1a O 31.4349 -15.3947
25 C8x C 33.4660 -18.8722
26 C8x C 34.8139 -18.8722
27 C8x C 35.4877 -17.7048
28 C8x C 34.8067 -16.5254
29 C8x C 33.4589 -16.5254
BOND 31
1 1 2 2
2 1 3 2
3 1 4 1
4 1 5 1
5 5 6 1
6 7 8 1
7 7 9 1
8 7 10 1
9 8 11 1
10 9 12 1
11 9 13 1
12 11 14 1
13 12 15 1
14 12 16 1
15 13 17 1
16 17 18 1 #Down
17 8 10 1
18 11 12 1
19 14 17 1
20 18 19 1
21 19 20 2
22 19 21 1
23 21 22 1 #Down
24 21 23 1
25 23 24 1
26 22 25 2
27 25 26 1
28 26 27 2
29 27 28 1
30 28 29 2
31 22 29 1
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