 | | DRUG: Betadex | |
| Entry |
|
|---|
| Name |
Betadex (NF/INN);
beta-Cyclodextrin |
|---|
| Formula |
C42H70O35
|
|---|
| Exact mass |
1134.3698
|
|---|
| Mol weight |
1134.9842
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Pharmaceutic aid (sequestering agent) |
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 77
1 C1y C 33.4888 -20.3494
2 C1y C 32.1005 -20.3494
3 O2x O 31.4176 -21.5321
4 C1y C 32.1004 -22.7849
5 C1y C 33.4887 -22.7150
6 C1y C 34.1716 -21.5322
7 C1y C 21.2871 -20.3497
8 C1y C 20.5951 -21.5463
9 C1y C 21.2773 -22.7295
10 C1y C 22.6431 -22.7304
11 C1y C 23.3349 -21.5338
12 O2x O 22.6528 -20.3506
13 C1y C 32.1206 -15.6025
14 C1y C 31.4378 -16.7853
15 O2x O 32.1206 -17.9681
16 C1y C 33.4864 -17.9681
17 C1y C 34.1693 -16.7853
18 C1y C 33.4864 -15.6025
19 C1y C 22.6543 -15.6025
20 C1y C 21.2885 -15.6025
21 C1y C 20.6056 -16.7853
22 C1y C 21.2885 -17.9681
23 C1y C 22.6543 -17.9681
24 O2x O 23.3372 -16.7853
25 C1y C 23.8371 -12.1882
26 C1y C 23.8371 -13.5540
27 C1y C 25.0199 -14.2369
28 O2x O 26.2028 -13.5540
29 C1y C 26.2028 -12.1882
30 C1y C 25.0199 -11.5053
31 C1b C 27.3855 -14.2369
32 C1y C 28.5683 -13.5540
33 C1y C 28.5683 -12.1882
34 O2a O 27.3855 -11.5053
35 O2x O 29.7511 -14.2369
36 C1y C 30.9339 -13.5540
37 C1y C 30.9339 -12.1882
38 C1y C 29.7511 -11.5053
39 O1a O 22.6544 -11.5053
40 O1a O 29.7511 -10.1399
41 O1a O 25.0199 -10.1398
42 O2a O 22.6544 -14.2369
43 O1a O 32.1206 -11.5031
44 O2a O 32.1206 -14.2391
45 O1a O 27.3855 -15.6026
46 O1a O 35.5143 -16.7849
47 O2a O 34.1749 -19.1600
48 O1a O 20.6114 -14.4294
49 O2a O 20.6004 -19.1594
50 O1a O 19.2620 -16.7849
51 C1b C 23.3532 -19.1789
52 C1b C 25.0199 -16.0173
53 C1b C 30.0516 -16.7856
54 O1a O 34.1639 -14.4288
55 O1a O 26.1863 -16.6908
56 O1a O 29.3785 -17.9520
57 O1a O 24.7247 -19.1792
58 O1a O 19.2618 -21.5454
59 O2a O 23.3222 -23.9080
60 O2a O 31.4219 -23.8902
61 O1a O 34.1611 -23.8802
62 C1b C 24.7249 -21.5345
63 O1a O 20.6131 -23.8790
64 C1b C 31.4318 -19.1917
65 O1a O 35.5145 -21.5324
66 O1a O 30.0517 -19.1918
67 O1a O 25.4044 -20.3590
68 C1y C 26.6683 -23.9080
69 O2x O 27.3544 -25.0960
70 C1y C 28.7202 -25.0958
71 C1y C 29.4029 -23.9130
72 C1y C 28.7168 -22.7250
73 C1y C 27.3510 -22.7251
74 O1a O 29.4003 -21.5408
75 C1b C 29.4107 -26.2923
76 O1a O 26.6517 -21.5135
77 O1a O 30.8022 -26.2918
BOND 84
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 7 12 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 13 18 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 19 24 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 25 30 1
31 32 31 1 #Down
32 32 33 1
33 33 34 1 #Up
34 29 34 1 #Up
35 32 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 33 38 1
40 25 39 1 #Down
41 38 40 1 #Down
42 30 41 1 #Up
43 26 42 1 #Up
44 37 43 1 #Up
45 36 44 1 #Up
46 31 45 1
47 19 42 1 #Up
48 13 44 1 #Up
49 17 46 1 #Up
50 16 47 1 #Up
51 20 48 1 #Up
52 22 49 1 #Up
53 21 50 1 #Down
54 23 51 1 #Down
55 27 52 1 #Down
56 14 53 1 #Down
57 18 54 1 #Down
58 52 55 1
59 53 56 1
60 51 57 1
61 7 49 1 #Up
62 1 47 1 #Up
63 8 58 1 #Up
64 10 59 1 #Up
65 4 60 1 #Up
66 5 61 1 #Up
67 11 62 1 #Down
68 9 63 1 #Down
69 2 64 1 #Down
70 6 65 1 #Down
71 64 66 1
72 62 67 1
73 68 69 1
74 69 70 1
75 70 71 1
76 71 72 1
77 72 73 1
78 68 73 1
79 71 60 1 #Down
80 68 59 1 #Down
81 72 74 1 #Up
82 70 75 1 #Up
83 73 76 1 #Down
84 75 77 1
|
|---|
|
» Japanese version » Back
|
|