| Entry |
|
|---|
| Name |
Thiamine (INN);
Vitamin B1 (TN) |
|---|
| Formula |
C12H17N4OS. Cl
|
|---|
| Exact mass |
300.0812
|
|---|
| Mol weight |
300.8076
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
| Product (DG00125): | D02094<JP/US> |
|
|---|
| Efficacy |
Supplement (vitamin B1) |
|---|
| 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
A11DA01 Thiamine (vit B1)
D08580 Thiamine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Thiamine
D08580 Thiamine (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 N5y N 24.2200 -17.3600 #+
2 C8y C 25.3400 -18.2000
3 C1b C 23.0300 -16.6600
4 C8x C 24.7100 -16.0300
5 C8y C 26.5300 -17.3600
6 C1a C 25.3400 -19.6000
7 C8y C 21.8400 -17.3600
8 S2x S 26.1100 -16.0300
9 C1b C 27.7200 -18.0600
10 C8y C 21.8400 -18.7600
11 C8x C 20.5800 -16.6600
12 C1b C 28.9100 -17.2900
13 N5x N 20.5800 -19.4600
14 N1a N 23.0300 -19.4600
15 N5x N 19.3900 -17.3600
16 O1a O 30.1700 -17.9900
17 C8y C 19.3900 -18.7600
18 C1a C 18.2000 -19.4600
19 X Cl 24.0100 -15.0500 #-
BOND 19
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 7 10 2
10 7 11 1
11 9 12 1
12 10 13 1
13 10 14 1
14 11 15 2
15 12 16 1
16 13 17 2
17 17 18 1
18 5 8 1
19 15 17 1
|
|---|
