| Entry |
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| Name |
Doxacurium chloride (USAN/INN);
Nuromax (TN) |
|---|
| Formula |
C56H78N2O16. 2Cl
|
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| Exact mass |
1104.4728
|
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| Mol weight |
1106.12
|
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| Structure |
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| Simcomp |
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| Class |
Musculo-skeletal system agent
DG02029 Muscle relaxant
DG01696 Peripherally-acting muscle relaxant
DG03117 Nondepolarizing neuromuscular blocking agent
DG01742 Quaternary ammonium compound type muscle relaxant
|
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| Remark |
|
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| Efficacy |
Neuromuscular blocking agent |
|---|
| 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]
M MUSCULO-SKELETAL SYSTEM
M03 MUSCLE RELAXANTS
M03A MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
M03AC Other quaternary ammonium compounds
M03AC07 Doxacurium chloride
D00760 Doxacurium chloride (USAN/INN)
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG02029 Muscle relaxant
DG01696 Peripherally-acting muscle relaxant
DG03117 Nondepolarizing neuromuscular blocking agent
D00760 Doxacurium chloride
DG01742 Quaternary ammonium compound type muscle relaxant
D00760 Doxacurium chloride
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRN (neuronal type)
D00760 Doxacurium chloride (USAN/INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 76
1 C8y C 19.9073 -13.6460
2 C1y C 21.1006 -14.3484
3 C8y C 19.9073 -12.2496
4 C8y C 18.7057 -14.3484
5 N2y N 22.3194 -13.6544 #+
6 C1b C 21.1006 -15.7363
7 C8x C 18.7057 -11.5556
8 C1x C 21.1174 -11.5641
9 C8y C 17.4955 -13.6460
10 O2a O 18.6971 -15.7363
11 C1x C 22.3194 -12.2580
12 C1b C 23.5126 -12.9604
13 C1a C 23.6564 -14.3662
14 C8y C 22.3024 -16.4218
15 C8y C 17.4955 -12.2496
16 O2a O 16.2854 -14.3484
17 C1a C 17.4955 -16.4218
18 C1b C 24.7228 -13.6460
19 C8x C 22.3107 -17.8097
20 C8x C 23.5040 -15.7277
21 O2a O 16.2854 -11.5556
22 C1a C 15.0836 -13.6460
23 C1b C 25.9244 -12.9520
24 C8y C 23.5126 -18.5037
25 C8y C 24.7141 -16.4132
26 C1a C 15.0836 -12.2410
27 O7a O 27.1347 -13.6375
28 C8y C 24.7141 -17.8013
29 O2a O 23.5126 -19.8916
30 O2a O 25.9160 -15.7108
31 C7a C 28.3450 -12.9434
32 O2a O 25.9160 -18.4951
33 C1a C 24.7141 -20.5854
34 C1a C 27.1178 -16.4048
35 C1b C 29.5465 -13.6291
36 O6a O 28.3363 -11.5472
37 C1a C 27.1178 -17.8013
38 C1b C 30.7484 -12.9351
39 C7a C 31.9499 -13.6206
40 O7a O 33.1602 -12.9265
41 O6a O 31.9499 -15.0170
42 C1b C 34.3620 -13.6206
43 C1b C 35.5721 -12.9265
44 C1b C 36.7737 -13.6122
45 N2y N 37.9839 -12.9182 #+
46 C1y C 39.1940 -13.6122
47 C1x C 37.9839 -11.5217
48 C1a C 36.7737 -12.2157
49 C8y C 40.3876 -12.9182
50 C1b C 39.1940 -15.5566
51 C1x C 39.1940 -10.8279
52 C8y C 40.3959 -11.5303
53 C8y C 41.5892 -13.6122
54 C8y C 37.9839 -16.2504
55 C8x C 41.5978 -10.8279
56 C8y C 42.7994 -12.9182
57 O2a O 41.5892 -14.9914
58 C8x C 36.7737 -15.5480
59 C8x C 37.9839 -17.6469
60 C8y C 42.7994 -11.5303
61 O2a O 44.0012 -13.6122
62 C1a C 42.7910 -15.6855
63 C8y C 35.5636 -16.2504
64 C8y C 36.7737 -18.3493
65 O2a O 44.0012 -10.8279
66 C1a C 45.2113 -12.9182
67 C8y C 35.5636 -17.6554
68 O2a O 34.3533 -15.5480
69 O2a O 36.7737 -19.7288
70 C1a C 45.2113 -11.5217
71 O2a O 34.3533 -18.3409
72 C1a C 33.1432 -16.2504
73 C1a C 35.5636 -20.4226
74 C1a C 33.1432 -17.6469
75 X Cl 23.4364 -11.6799 #-
76 X Cl 36.6310 -10.9085 #-
BOND 79
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 5 13 1
13 6 14 1
14 7 15 2
15 9 16 1
16 10 17 1
17 12 18 1
18 14 19 1
19 14 20 2
20 15 21 1
21 16 22 1
22 18 23 1
23 19 24 2
24 20 25 1
25 21 26 1
26 23 27 1
27 24 28 1
28 24 29 1
29 25 30 1
30 27 31 1
31 28 32 1
32 29 33 1
33 30 34 1
34 31 35 1
35 31 36 2
36 32 37 1
37 35 38 1
38 38 39 1
39 39 40 1
40 39 41 2
41 40 42 1
42 42 43 1
43 43 44 1
44 44 45 1
45 45 46 1
46 45 47 1
47 45 48 1
48 46 49 1
49 46 50 1
50 47 51 1
51 49 52 2
52 49 53 1
53 50 54 1
54 52 55 1
55 53 56 2
56 53 57 1
57 54 58 2
58 54 59 1
59 55 60 2
60 56 61 1
61 57 62 1
62 58 63 1
63 59 64 2
64 60 65 1
65 61 66 1
66 63 67 2
67 63 68 1
68 64 69 1
69 65 70 1
70 67 71 1
71 68 72 1
72 69 73 1
73 71 74 1
74 8 11 1
75 9 15 1
76 25 28 2
77 51 52 1
78 56 60 1
79 64 67 1
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