| Entry |
|
|---|
| Name |
Pantothenyl ethylether (JAN);
Pantothenyl ethyl ether |
|---|
| Formula |
C11H23NO4
|
|---|
| Exact mass |
233.1627
|
|---|
| Mol weight |
233.3046
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Supplement (vitamin B complex) |
|---|
| Brite |
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Pantothenyl ethylether
D01694 Pantothenyl ethylether (JAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 16
1 C1c C 29.0535 -16.7802
2 C1d C 27.8358 -17.4794
3 C5a C 30.2653 -17.4794
4 O1a O 29.0535 -15.3819
5 C1b C 26.6241 -16.7802
6 N1b N 31.4715 -16.7802
7 O5a O 30.2653 -18.8777
8 O1a O 25.4063 -17.4794
9 C1b C 32.6892 -17.4794
10 C1b C 33.9011 -16.7802
11 C1b C 35.1129 -17.4794
12 O2a O 36.3307 -16.7802
13 C1b C 37.5360 -17.4801
14 C1a C 38.7449 -16.7861
15 C1a C 26.8458 -18.4693
16 C1a C 28.8257 -18.4693
BOND 15
1 1 3 1
2 1 4 1 #Up
3 2 5 1
4 3 6 1
5 3 7 2
6 5 8 1
7 6 9 1
8 9 10 1
9 10 11 1
10 11 12 1
11 12 13 1
12 1 2 1
13 13 14 1
14 2 15 1
15 2 16 1
|
|---|
