| Entry |
|
|---|
| Name |
Metocurine iodide (USAN);
Metubine iodide (TN) |
|---|
| Formula |
C40H48N2O6. 2I
|
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| Exact mass |
906.1602
|
|---|
| Mol weight |
906.6279
|
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| Structure |
|
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| Simcomp |
|
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| Efficacy |
Skeletal muscle relaxant, Neuromuscular blocking agent |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Structure map |
| map07221 | Nicotinic cholinergic receptor antagonists |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRN (muscle type)
D00761 Metocurine iodide (USAN)
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| Other DBs |
|
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| KCF data |
ATOM 50
1 X I 21.5070 -13.8699 #-
2 X I 27.8843 -25.4297 #-
3 C8y C 24.3659 -15.5944
4 C1y C 23.2477 -16.2934
5 C8y C 24.3659 -14.2666
6 C8y C 25.5540 -16.2934
7 N2y N 22.0597 -15.5944 #+
8 C1x C 23.2477 -17.6213
9 C8x C 25.5540 -13.5677
10 C1x C 23.1779 -13.5677
11 C8y C 26.7421 -15.5944
12 C1x C 22.0597 -14.2666
13 C1a C 20.9415 -14.9654
14 C8y C 22.0597 -18.6696
15 C8y C 26.7421 -14.2666
16 O2a O 27.8603 -16.2934
17 C8x C 20.9415 -18.0406
18 C8x C 22.0597 -19.9974
19 O2a O 27.8603 -13.5677
20 C8x C 19.7534 -18.6696
21 C8y C 21.0113 -20.6964
22 C1a C 28.9785 -14.2666
23 C8y C 19.7534 -19.9974
24 O2a O 18.5653 -20.6964
25 C1a C 20.9415 -16.2934
26 O2x O 25.5540 -17.6213
27 N2y N 26.9517 -23.1424 #+
28 C1y C 25.7637 -22.4435
29 C1x C 26.9517 -24.6100
30 C8y C 24.5756 -23.1424
31 C1x C 27.9302 -21.5349
32 C1x C 25.7637 -25.2390
33 C8y C 24.5756 -24.5401
34 C8x C 23.3875 -22.5134
35 C8x C 26.6722 -20.0673
36 C8x C 23.3875 -25.2390
37 C8y C 22.1994 -23.1424
38 C8y C 27.9302 -20.7662
39 C8x C 26.6722 -18.6696
40 C8y C 22.1994 -24.5401
41 O2x O 21.0113 -22.4435
42 C8x C 29.1183 -20.0673
43 C8y C 27.8603 -17.9707
44 O2a O 21.0113 -25.2390
45 C8x C 29.1183 -18.5997
46 C1a C 19.7534 -24.6100
47 C1a C 28.1398 -22.4435
48 C1a C 29.0913 -15.6390
49 C1a C 28.1642 -23.8424
50 C1a C 17.3480 -20.0067
BOND 54
1 23 24 1
2 10 12 1
3 11 15 1
4 21 23 1
5 25 7 1
6 6 26 1
7 3 4 1
8 3 5 2
9 3 6 1
10 4 7 1
11 4 8 1
12 5 9 1
13 5 10 1
14 6 11 2
15 7 12 1
16 7 13 1
17 8 14 1
18 9 15 2
19 11 16 1
20 14 17 2
21 14 18 1
22 15 19 1
23 17 20 1
24 18 21 2
25 19 22 1
26 20 23 2
27 27 28 1
28 27 29 1
29 28 30 1
30 28 31 1
31 29 32 1
32 30 33 2
33 30 34 1
34 33 36 1
35 34 37 2
36 35 38 2
37 35 39 1
38 36 40 2
39 37 41 1
40 38 42 1
41 39 43 2
42 40 44 1
43 42 45 2
44 44 46 1
45 32 33 1
46 37 40 1
47 43 45 1
48 27 47 1
49 26 43 1
50 21 41 1
51 38 31 1
52 16 48 1
53 27 49 1
54 24 50 1
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