Entry |
|
Name |
Tubocurarine chloride (USP); Tubocurarine chloride hydrate (JAN); Tubocurarine chloride (TN) |
Formula |
C37H41N2O6. 5H2O. HCl. Cl
|
Exact mass |
770.2948
|
Mol weight |
771.72
|
Structure |
|
Simcomp |
|
Class |
Musculo-skeletal system agent
DG02029 Muscle relaxant
DG01696 Peripherally-acting muscle relaxant
DG03117 Nondepolarizing neuromuscular blocking agent
DG01740 Curare alkaloid
|
Remark |
|
Efficacy |
Neuromuscular blocking agent |
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Interaction |
|
Structure map |
map07221 | Nicotinic cholinergic receptor antagonists |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M03 MUSCLE RELAXANTS
M03A MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
M03AA Curare alkaloids
M03AA02 Tubocurarine
D02207 Tubocurarine chloride (USP)
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG02029 Muscle relaxant
DG01696 Peripherally-acting muscle relaxant
DG03117 Nondepolarizing neuromuscular blocking agent
DG00767 Tubocurarine
D02207 Tubocurarine chloride
DG01740 Curare alkaloid
DG00767 Tubocurarine
D02207 Tubocurarine chloride
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRN (neuronal type)
D02207 Tubocurarine chloride (USP)
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG02029 Muscle relaxant
DG01696 Peripherally-acting muscle relaxant
DG03117 Nondepolarizing neuromuscular blocking agent
DG00767 Tubocurarine
DG01740 Curare alkaloid
DG00767 Tubocurarine
|
Other DBs |
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LinkDB |
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KCF data |
ATOM 52
1 X Cl 15.6030 -16.1928 #-
2 X Cl 31.3300 -19.0733
3 O0 O 31.8666 -22.1467
4 C8y C 22.5432 -16.0137
5 C1y C 21.4251 -16.7125
6 C8y C 22.5432 -14.6860
7 C8y C 23.7312 -16.7125
8 N2y N 20.2372 -16.0137 #+
9 C1x C 21.4251 -18.0403
10 C8x C 23.7312 -13.9872
11 C1x C 21.3553 -13.9872
12 C8y C 24.9192 -16.0137
13 C1x C 20.2372 -14.6860
14 C1a C 19.1191 -15.3848
15 C8y C 20.2372 -19.0885
16 C8y C 24.9192 -14.6860
17 O1a O 26.0373 -16.7125
18 C8x C 19.1191 -18.4596
19 C8x C 20.2372 -20.4162
20 O2a O 26.0373 -13.9872
21 C8x C 17.9311 -19.0885
22 C8y C 19.1889 -21.1151
23 C1a C 27.1554 -14.6860
24 C8y C 17.9311 -20.4162
25 O1a O 16.7431 -21.1151
26 C1a C 19.1191 -16.7125
27 O2x O 23.7312 -18.0403
28 N1y N 25.1288 -23.5609
29 C1y C 23.9409 -22.8621
30 C1x C 25.1288 -25.0284
31 C8y C 22.7529 -23.5609
32 C1x C 26.1072 -21.9536
33 C1x C 23.9409 -25.6573
34 C8y C 22.7529 -24.9585
35 C8x C 21.5649 -22.9320
36 C8x C 24.8493 -20.4861
37 C8x C 21.5649 -25.6573
38 C8y C 20.3769 -23.5609
39 C8y C 26.1072 -21.1849
40 C8x C 24.8493 -19.0885
41 C8y C 20.3769 -24.9585
42 O2x O 19.1889 -22.8621
43 C8x C 27.2952 -20.4861
44 C8y C 26.0373 -18.3897
45 O2a O 19.1889 -25.6573
46 C8x C 27.2952 -19.0186
47 C1a C 17.9311 -25.0284
48 C1a C 26.3168 -22.8621
49 O0 O 31.8666 -22.1467
50 O0 O 31.8666 -22.1467
51 O0 O 31.8666 -22.1467
52 O0 O 31.8666 -22.1467
BOND 51
1 24 25 1
2 11 13 1
3 12 16 1
4 22 24 1
5 26 8 1
6 7 27 1
7 4 5 1
8 4 6 2
9 4 7 1
10 5 8 1
11 5 9 1
12 6 10 1
13 6 11 1
14 7 12 2
15 8 13 1
16 8 14 1
17 9 15 1
18 10 16 2
19 12 17 1
20 15 18 2
21 15 19 1
22 16 20 1
23 18 21 1
24 19 22 2
25 20 23 1
26 21 24 2
27 28 29 1
28 28 30 1
29 29 31 1
30 29 32 1
31 30 33 1
32 31 34 2
33 31 35 1
34 34 37 1
35 35 38 2
36 36 39 2
37 36 40 1
38 37 41 2
39 38 42 1
40 39 43 1
41 40 44 2
42 41 45 1
43 43 46 2
44 45 47 1
45 33 34 1
46 38 41 1
47 44 46 1
48 28 48 1
49 27 44 1
50 22 42 1
51 39 32 1
BRACKET 1 29.6800 -23.2400 29.6800 -21.0700
1 32.4800 -21.0700 32.4800 -23.2400
1 5
ORIGINAL 1 3
REPEAT 1 51 52 53 54
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