| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C18H13NO8S2. 2Na
|
|---|
| Exact mass |
480.9878
|
|---|
| Mol weight |
481.41
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A06 DRUGS FOR CONSTIPATION
A06A DRUGS FOR CONSTIPATION
A06AB Contact laxatives
A06AB08 Sodium picosulfate
C13072 Sodium picosulfate
Drug groups [BR:br08330]
Gastrointestinal agent
DG01770 Laxative
DG00072 Sodium picosulfate
C13072 Sodium picosulfate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 Z Na 16.1668 -20.0051 #+
2 Z Na 35.4104 -19.9724 #+
3 O2a O 30.6869 -21.3442
4 S4a S 31.8984 -20.6367
5 O1d O 32.5492 -21.8889
6 O1d O 31.3182 -19.3563
7 O1d O 33.1507 -20.0000 #-
8 C8y C 29.4703 -20.6499
9 C8x C 28.2648 -21.3612
10 C8x C 27.0482 -20.6669
11 C8y C 27.0411 -19.2661
12 C8x C 28.2507 -18.5596
13 C8x C 29.4674 -19.2539
14 C1c C 25.8245 -18.5718
15 C8y C 25.8176 -17.1710
16 C8y C 24.6149 -19.2781
17 C8x C 27.0284 -16.4683
18 C8x C 27.0212 -15.0674
19 C8x C 25.8047 -14.3732
20 C8x C 24.5950 -15.0795
21 N5x N 24.6020 -16.4803
22 C8x C 23.4068 -18.5842
23 C8x C 22.1738 -19.2907
24 C8y C 22.2041 -20.6915
25 C8x C 23.4207 -21.3858
26 C8x C 24.6303 -20.6793
27 O2a O 20.9944 -21.3978
28 S4a S 19.7779 -20.7035
29 O1d O 18.5554 -20.0000 #-
30 O1d O 19.0812 -21.9189
31 O1d O 20.4828 -19.4931
BOND 31
1 3 8 1
2 14 16 1
3 3 4 1
4 4 5 2
5 4 6 2
6 15 17 2
7 17 18 1
8 18 19 2
9 19 20 1
10 20 21 2
11 21 15 1
12 8 9 2
13 9 10 1
14 10 11 2
15 11 12 1
16 12 13 2
17 16 22 2
18 22 23 1
19 23 24 2
20 24 25 1
21 25 26 2
22 26 16 1
23 13 8 1
24 24 27 1
25 4 7 1
26 27 28 1
27 11 14 1
28 28 29 1
29 28 30 2
30 14 15 1
31 28 31 2
|
|---|
