| Entry |
|
|---|
| Name |
Bisibuthiamine;
Sulbutiamine
|
|---|
| Formula |
C32H46N8O6S2
|
|---|
| Exact mass |
702.2982
|
|---|
| Mol weight |
702.8876
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A11 VITAMINS
A11D VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
A11DA Vitamin B1, plain
A11DA02 Sulbutiamine
D01319 Bisibuthiamine (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Bisibuthiamine
D01319 Bisibuthiamine (JAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 48
1 C1b C 17.0100 -21.4200
2 N1c N 18.2000 -22.1200
3 C8y C 15.7500 -22.1200
4 C8y C 14.5600 -21.4200
5 N5x N 13.3000 -22.1200
6 C8y C 13.3000 -23.5200
7 N5x N 14.4900 -24.2200
8 C8x C 15.7500 -23.5200
9 N1a N 14.5600 -20.0200
10 C1a C 12.1100 -24.2200
11 C4a C 19.3900 -21.4200
12 C2c C 18.2000 -23.5200
13 O4a O 20.5800 -22.1200
14 C2c C 19.3900 -24.2200
15 C1a C 17.0100 -24.2200
16 S3a S 20.5800 -23.5200
17 S3a S 21.7700 -24.2200
18 C1b C 19.3900 -25.6200
19 C1b C 20.5800 -26.3200
20 O7a O 20.5800 -27.7900
21 C7a C 21.7700 -28.4900
22 C2c C 22.9600 -23.5200
23 C2c C 24.1500 -24.2200
24 C1a C 25.3400 -23.5200
25 N1c N 24.1500 -25.6200
26 C1b C 25.3400 -26.3200
27 C8y C 26.5300 -25.6200
28 O6a O 22.9600 -27.7900
29 C1c C 21.7700 -29.8900
30 C1a C 23.0300 -30.5900
31 C1a C 20.6500 -30.5900
32 C4a C 22.9600 -26.3200
33 O4a O 21.7700 -25.6200
34 C1b C 22.9600 -22.1200
35 C1b C 21.7700 -21.4200
36 O7a O 21.7700 -20.0200
37 C7a C 20.5800 -19.3200
38 O6a O 19.3900 -20.0200
39 C1c C 20.5800 -17.9200
40 C1a C 19.3900 -17.2200
41 C1a C 21.7700 -17.2200
42 C8y C 27.7900 -26.3200
43 N5x N 29.0500 -25.6200
44 C8y C 29.0500 -24.2200
45 N5x N 27.8600 -23.5200
46 C8x C 26.5300 -24.2200
47 N1a N 27.7900 -27.7900
48 C1a C 30.2400 -23.5200
BOND 49
1 1 2 1
2 1 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 2
8 3 8 1
9 4 9 1
10 6 10 1
11 2 11 1
12 2 12 1
13 11 13 2
14 12 14 2
15 12 15 1
16 14 16 1
17 16 17 1
18 14 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 17 22 1
23 22 23 2
24 23 24 1
25 23 25 1
26 25 26 1
27 26 27 1
28 21 28 2
29 21 29 1
30 29 30 1
31 29 31 1
32 25 32 1
33 32 33 2
34 22 34 1
35 34 35 1
36 35 36 1
37 36 37 1
38 37 38 2
39 37 39 1
40 39 40 1
41 39 41 1
42 27 42 1
43 42 43 2
44 43 44 1
45 44 45 2
46 45 46 1
47 27 46 2
48 42 47 1
49 44 48 1
|
|---|
