| Entry |
|
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| Name |
Hyoscyamine sulfate (USP);
Hyoscyamine sulfate dihydrate;
Egacene (TN) |
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| Formula |
(C17H23NO3. H2O)2. H2SO4
|
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| Exact mass |
712.3241
|
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| Mol weight |
712.8479
|
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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 |
|---|
| Disease |
Peptic ulcer [DS: H01634] Irritable bowel syndrome [DS: H01615] |
|---|
| 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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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03B BELLADONNA AND DERIVATIVES, PLAIN
A03BA Belladonna alkaloids, tertiary amines
A03BA03 Hyoscyamine
D00719 Hyoscyamine sulfate (USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
DG00053 Hyoscyamine
D00719 Hyoscyamine sulfate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D00719 Hyoscyamine sulfate (USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
DG00053 Hyoscyamine
|
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| Other DBs |
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| KCF data |
ATOM 49
1 S4a S 37.4113 -13.8292
2 O1d O 36.0485 -13.8935
3 O1d O 38.7795 -13.8292
4 O1d O 37.4054 -12.4667
5 O1d O 37.4054 -15.1920
6 O0 O 31.6463 -11.2177
7 C1x C 23.0857 -14.9648
8 C1x C 23.4059 -13.8213
9 C1y C 24.2293 -14.6904
10 C1y C 24.5495 -13.5469
11 N1y N 23.3145 -12.2660
12 C1x C 26.0589 -14.6904
13 C1x C 25.7845 -13.5469
14 C1y C 27.0653 -15.2393
15 O7a O 28.1174 -16.1084
16 C7a C 29.3067 -16.1084
17 C1c C 29.9014 -15.0563
18 O6a O 29.9014 -17.2062
19 C8y C 31.0907 -15.0563
20 C1b C 29.3067 -14.0500
21 O1a O 29.9014 -12.9980
22 C8x C 31.7800 -16.2506
23 C8x C 33.1463 -16.2509
24 C8x C 33.8297 -15.0677
25 C8x C 33.1405 -13.8735
26 C8x C 31.7742 -13.8732
27 C1a C 22.5834 -11.1103
28 O0 O 31.6463 -11.2177
29 C1x C 23.0857 -14.9648
30 C1x C 23.4059 -13.8213
31 C1y C 24.5495 -13.5469
32 C1x C 25.7845 -13.5469
33 C1y C 27.0653 -15.2393
34 C1x C 26.0589 -14.6904
35 C1y C 24.2293 -14.6904
36 N1y N 23.3145 -12.2660
37 C1a C 22.5834 -11.1103
38 O7a O 28.1174 -16.1084
39 C7a C 29.3067 -16.1084
40 C1c C 29.9014 -15.0563
41 C8y C 31.0907 -15.0563
42 C8x C 31.7800 -16.2506
43 C8x C 33.1463 -16.2509
44 C8x C 33.8297 -15.0677
45 C8x C 33.1405 -13.8735
46 C8x C 31.7742 -13.8732
47 C1b C 29.3067 -14.0500
48 O1a O 29.9014 -12.9980
49 O6a O 29.9014 -17.2062
BOND 50
1 1 2 1
2 1 3 1
3 1 4 2
4 1 5 2
5 7 8 1
6 7 9 1
7 8 10 1
8 9 11 1
9 9 12 1
10 10 13 1
11 12 14 1
12 14 15 1 #Down
13 15 16 1
14 16 17 1
15 16 18 2
16 17 19 1
17 17 20 1 #Down
18 20 21 1
19 10 11 1
20 13 14 1
21 19 22 2
22 22 23 1
23 23 24 2
24 24 25 1
25 25 26 2
26 19 26 1
27 11 27 1
28 29 30 1
29 29 35 1
30 30 31 1
31 35 36 1
32 35 34 1
33 31 32 1
34 34 33 1
35 33 38 1 #Down
36 38 39 1
37 39 40 1
38 39 49 2
39 40 41 1
40 40 47 1 #Down
41 47 48 1
42 31 36 1
43 32 33 1
44 41 42 2
45 42 43 1
46 43 44 2
47 44 45 1
48 45 46 2
49 41 46 1
50 36 37 1
BRACKET 1 20.8600 -18.0600 20.8600 -9.8000
1 34.2300 -9.8000 34.2300 -18.0600
1 2
ORIGINAL 1 6 7 8 10 13 14 12 9 11 29 22 15 16 17 19 24
1 25 26 27 28 20 21 18 23
REPEAT 1 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45
1 46 47 48 49 50 51 52 53
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