| Entry |
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| Name |
Demecarium bromide (USP/INN);
Humorsol (TN) |
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| Formula |
C32H52N4O4. 2Br
|
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| Exact mass |
714.2355
|
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| Mol weight |
716.5877
|
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| Structure |
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| Class |
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
Ophthalmic agent
DG03201 Intraocular pressure lowering agent
|
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| Remark |
|
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| Efficacy |
Antiglaucoma, Miotic, Acetylcholinesterase inhibitor |
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| Target |
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| Pathway |
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
S01EB Parasympathomimetics
S01EB04 Demecarium
D00667 Demecarium bromide (USP/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01595 Cholinesterase inhibitor
DG01593 Acetylcholinesterase inhibitor
D00667 Demecarium bromide
Ophthalmic agent
DG03201 Intraocular pressure lowering agent
D00667 Demecarium bromide
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Carboxylic-ester hydrolases
ACHE
D00667 Demecarium bromide (USP/INN)
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| Other DBs |
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| KCF data |
ATOM 42
1 C8y C 32.0606 -17.1460
2 C8x C 33.2672 -16.4457
3 O7a O 30.8623 -16.4457
4 C8x C 32.0606 -18.5381
5 C8y C 34.4652 -17.1460
6 C7a C 29.6474 -17.1460
7 C8x C 33.2672 -19.2300
8 C8x C 34.4738 -18.5381
9 N1d N 35.6718 -16.4457 #+
10 N1c N 28.4492 -16.4457
11 O6a O 29.6474 -18.5381
12 C1a C 36.4059 -17.5593
13 C1a C 34.9208 -15.2391
14 C1a C 36.8280 -15.6610
15 C1b C 27.2512 -17.1460
16 C1a C 28.4409 -15.0619
17 C1b C 26.0612 -16.4457
18 C1b C 24.8632 -17.1460
19 C1b C 23.6818 -16.4457
20 C1b C 22.4838 -17.1374
21 C1b C 21.2855 -16.4457
22 C1b C 20.0958 -17.1374
23 C1b C 18.9061 -16.4457
24 C1b C 17.7081 -17.1374
25 C1b C 16.5099 -16.4371
26 N1c N 15.3033 -17.1374
27 C7a C 14.0967 -16.4371
28 C1a C 15.3033 -18.5297
29 O7a O 12.8901 -17.1374
30 O6a O 14.0967 -15.0534
31 C8y C 11.6835 -16.4371
32 C8x C 10.4853 -17.1460
33 C8x C 11.6919 -15.0534
34 C8y C 9.2873 -16.4457
35 C8x C 10.4853 -14.3614
36 C8x C 9.2873 -15.0534
37 N1d N 8.0807 -17.1460 #+
38 C1a C 6.7897 -17.8377
39 C1a C 8.7555 -18.5466
40 C1a C 7.2791 -15.7285
41 X Br 15.1937 -13.6021 #-
42 X Br 30.1789 -20.4535 #-
BOND 41
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 1
9 6 10 1
10 6 11 2
11 9 12 1
12 9 13 1
13 9 14 1
14 10 15 1
15 10 16 1
16 15 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 26 28 1
28 27 29 1
29 27 30 2
30 29 31 1
31 31 32 1
32 31 33 2
33 32 34 2
34 33 35 1
35 34 36 1
36 34 37 1
37 37 38 1
38 37 39 1
39 37 40 1
40 7 8 2
41 35 36 2
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