Entry |
|
Name |
Pantothenic acid (BAN); Pantothen Pharmaselect (TN) |
Formula |
C9H17NO5
|
Exact mass |
219.1107
|
Mol weight |
219.23
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Supplement (pantothenic acid) |
Comment |
Vitamin B5
|
Interaction |
|
Structure map |
|
Brite |
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Pantothenic acid
D07413 Pantothenic acid (BAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 15
1 C1c C 22.3300 -17.5700
2 C1d C 21.1400 -18.2700
3 C5a C 23.5200 -18.2700
4 O1a O 22.3300 -16.1700
5 C1b C 19.8800 -17.5700
6 C1a C 19.8800 -18.9700
7 C1a C 22.3300 -18.9700
8 N1b N 24.7800 -17.5700
9 O5a O 23.5200 -19.6700
10 O1a O 18.6900 -18.2700
11 C1b C 25.9700 -18.2700
12 C1b C 27.1600 -17.5700
13 C6a C 28.4200 -18.2700
14 O6a O 29.6100 -17.5700
15 O6a O 28.4200 -19.6700
BOND 14
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 2
9 5 10 1
10 8 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 13 15 2
|