| Entry |
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| Name |
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| Formula |
C53H72N2O12
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| Exact mass |
928.5085
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| Mol weight |
929.14
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| Structure |
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| Remark |
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| Pathway |
| map07221 | Nicotinic cholinergic receptor antagonists |
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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
M03AC04 Atracurium
C07548 Atracurium
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG02029 Muscle relaxant
DG01696 Peripherally-acting muscle relaxant
DG03117 Nondepolarizing neuromuscular blocking agent
DG00771 Atracurium
C07548 Atracurium
DG01742 Quaternary ammonium compound type muscle relaxant
DG00771 Atracurium
C07548 Atracurium
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 67
1 C8y C 36.2357 -16.9147
2 C1y C 35.0241 -17.6136
3 C8y C 36.2357 -15.5087
4 C8x C 37.4473 -17.6136
5 N2y N 33.8123 -16.9147 #+
6 C1b C 35.0241 -19.0108
7 C8x C 37.4473 -14.8098
8 C1x C 35.0241 -14.8098
9 C8y C 38.6589 -16.9147
10 C1x C 33.8123 -15.5087
11 C1b C 32.6007 -16.2161
12 C1a C 32.5920 -17.6046
13 C8y C 33.8123 -19.7182
14 C8y C 38.6589 -15.5087
15 O2a O 39.8704 -17.6136
16 C1b C 31.3892 -16.9237
17 C8x C 32.6097 -19.0108
18 C8x C 33.8213 -21.1157
19 O2a O 39.8704 -14.8098
20 C1a C 41.0820 -16.9147
21 C7a C 30.1776 -16.2250
22 C8y C 31.3892 -19.7182
23 C8x C 32.6097 -21.8143
24 C1a C 41.0820 -15.5087
25 O7a O 28.9747 -16.9324
26 O6a O 30.1776 -14.8188
27 C8y C 31.3892 -21.1157
28 O2a O 30.1776 -19.0108
29 C1b C 27.7632 -16.2338
30 O2a O 30.1776 -21.8143
31 C1a C 28.9660 -19.7182
32 C1b C 26.5516 -16.9324
33 C1a C 28.9660 -21.1157
34 C1b C 25.3400 -16.2338
35 C1b C 24.1284 -16.9414
36 C1b C 22.9168 -16.2427
37 O7a O 21.7053 -16.9501
38 C7a C 20.5024 -16.2515
39 C1b C 19.2908 -16.9591
40 O6a O 20.4934 -14.8542
41 C1b C 18.0793 -16.2604
42 N2y N 16.8764 -16.9678 #+
43 C1y C 15.6559 -17.6664
44 C1x C 16.8764 -15.5705
45 C1a C 18.0793 -17.6577
46 C8y C 14.4443 -16.9678
47 C1b C 15.6559 -19.0639
48 C1x C 15.6559 -14.8629
49 C8y C 14.4443 -15.5705
50 C8x C 13.2417 -17.6664
51 C8y C 16.8677 -19.7713
52 C8x C 13.2417 -14.8629
53 C8y C 12.0211 -16.9678
54 C8x C 18.0703 -19.0639
55 C8x C 16.8587 -21.1688
56 C8y C 12.0211 -15.5705
57 O2a O 10.8183 -17.6664
58 C8y C 19.2908 -19.7713
59 C8x C 18.0703 -21.8674
60 O2a O 10.8183 -14.8629
61 C1a C 9.5980 -16.9678
62 C8y C 19.2908 -21.1688
63 O2a O 20.5024 -19.0639
64 C1a C 9.5980 -15.5705
65 O2a O 20.5024 -21.8674
66 C1a C 21.7053 -19.7713
67 C1a C 21.7053 -21.1688
BOND 72
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 5 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 2
14 9 15 1
15 11 16 1
16 13 17 2
17 13 18 1
18 14 19 1
19 15 20 1
20 16 21 1
21 17 22 1
22 18 23 2
23 19 24 1
24 21 25 1
25 21 26 2
26 22 27 2
27 22 28 1
28 25 29 1
29 27 30 1
30 28 31 1
31 29 32 1
32 30 33 1
33 32 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 39 1
39 38 40 2
40 39 41 1
41 41 42 1
42 42 43 1
43 42 44 1
44 42 45 1
45 43 46 1
46 43 47 1
47 44 48 1
48 46 49 2
49 46 50 1
50 47 51 1
51 49 52 1
52 50 53 2
53 51 54 2
54 51 55 1
55 52 56 2
56 53 57 1
57 54 58 1
58 55 59 2
59 56 60 1
60 57 61 1
61 58 62 2
62 58 63 1
63 60 64 1
64 62 65 1
65 63 66 1
66 65 67 1
67 8 10 1
68 9 14 1
69 23 27 1
70 48 49 1
71 53 56 1
72 59 62 1
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