| Entry |
|
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| Name |
Bisbentiamine (JAN/INN);
Beston (TN) |
|---|
| Formula |
C38H42N8O6S2
|
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| Exact mass |
770.2669
|
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| Mol weight |
770.92
|
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| Structure |
|
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| Simcomp |
|
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| Remark |
| Therapeutic category: | 3122 |
|
|---|
| Efficacy |
Supplement (vitamin B1) |
|---|
| Comment |
Thiamine [CPD: C00378] derivative
|
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| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
3 Agents affecting metabolism
31 Vitamins
312 Vitamin B1 preparations
3122 Vitamin B1 derivatives
D01284 Bisbentiamine (JAN/INN)
Classification of Japanese OTC drugs [BR:br08313]
Nourishing tonics and health supplements
35 Vitamin B1 based drugs
D01284 Bisbentiamine (JAN/INN)
42 Vitamin B1B6B12 based drugs
D01284 Bisbentiamine (JAN/INN)
43 Vitamin containing supplements
D01284 Bisbentiamine (JAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Bisbentiamine
D01284 Bisbentiamine (JAN/INN)
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 54
1 N5x N 11.2700 -24.9900
2 C8y C 11.2700 -26.3900
3 N5x N 12.4824 -27.0900
4 C8x C 13.6949 -26.3900
5 C8y C 13.6949 -24.9900
6 C8y C 12.4824 -24.2900
7 C1b C 14.9260 -24.2790
8 C1a C 10.0576 -27.0900
9 N1a N 12.4824 -22.8902
10 N1c N 16.1312 -24.9747
11 C4a C 17.3135 -24.2919
12 C2c C 16.1316 -26.3896
13 C2c C 17.3205 -27.0759
14 C1a C 14.8957 -27.1039
15 S3a S 18.5038 -26.3924
16 O4a O 18.5075 -24.9812
17 S3a S 19.6973 -27.0814
18 C2c C 20.8855 -26.3953
19 C2c C 22.0765 -27.0829
20 C1b C 20.8854 -24.9902
21 C1a C 23.2659 -26.3960
22 N1c N 22.0768 -28.4897
23 C1b C 23.2692 -29.1782
24 C8y C 24.4546 -28.4937
25 C8y C 25.6469 -29.1822
26 N5x N 26.8594 -28.4822
27 C8y C 26.8594 -27.0822
28 N5x N 25.6671 -26.3937
29 C8x C 24.4546 -27.0937
30 C4a C 20.8444 -29.2017
31 O4a O 19.6386 -28.5058
32 N1a N 25.6470 -30.5897
33 C1a C 28.0838 -26.3752
34 C1b C 17.3210 -28.4897
35 C1b C 18.5103 -29.1761
36 O7a O 18.5103 -30.5761
37 C7a C 17.2692 -31.2928
38 C8y C 16.0712 -30.6011
39 O6a O 17.2692 -32.6898
40 C8x C 16.0711 -29.1903
41 C8x C 14.8586 -28.4904
42 C8x C 13.6462 -29.1905
43 C8x C 13.6464 -30.6013
44 C8x C 14.8589 -31.3012
45 C1b C 19.6540 -24.2790
46 O7a O 19.6540 -22.8790
47 C7a C 20.8735 -22.1748
48 C8y C 22.0823 -22.8726
49 O6a O 20.8733 -20.7901
50 C8x C 22.0827 -24.2896
51 C8x C 23.2954 -24.9892
52 C8x C 24.5076 -24.2889
53 C8x C 24.5072 -22.8719
54 C8x C 23.2945 -22.1723
BOND 57
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 2 8 1
9 6 9 1
10 7 10 1
11 10 11 1
12 10 12 1
13 12 13 2
14 12 14 1
15 13 15 1
16 11 16 2
17 15 17 1
18 17 18 1
19 18 19 2
20 18 20 1
21 19 21 1
22 19 22 1
23 22 23 1
24 23 24 1
25 24 25 2
26 25 26 1
27 26 27 2
28 27 28 1
29 28 29 2
30 24 29 1
31 22 30 1
32 30 31 2
33 25 32 1
34 27 33 1
35 13 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 37 38 1
40 37 39 2
41 38 40 2
42 40 41 1
43 41 42 2
44 42 43 1
45 43 44 2
46 38 44 1
47 20 45 1
48 45 46 1
49 46 47 1
50 47 48 1
51 47 49 2
52 48 50 2
53 50 51 1
54 51 52 2
55 52 53 1
56 53 54 2
57 48 54 1
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