IUPAC name
disodium 4-[(pyridin-2-yl)[4-(sulfonatooxy)phenyl]methyl]phenyl sulfate
SMILES
[Na+].[Na+].[O-]S(=O)(=O)OC1=CC=C(C=C1)C(C1=CC=C(OS([O-])(=O)=O)C=C1)C1=CC=CC=N1
Compound class
Cathartics; Alimentary Tract and Metabolism; Drugs for Constipation; Contact Laxatives;
Therapeutic area
For cleansing of the colon as a preparation for colonoscopy in adults.
Common name
Sodium picosulfate
IUPAC name
disodium 4-[(pyridin-2-yl)[4-(sulfonatooxy)phenyl]methyl]phenyl sulfate
SMILES
[Na+].[Na+].[O-]S(=O)(=O)OC1=CC=C(C=C1)C(C1=CC=C(OS([O-])(=O)=O)C=C1)C1=CC=CC=N1
INCHI
InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
FORMULA
C18H13NNa2O8S2
Common name
Sodium picosulfate
IUPAC name
disodium 4-[(pyridin-2-yl)[4-(sulfonatooxy)phenyl]methyl]phenyl sulfate
Molecular weight
435.428
clogP
0.768
clogS
-4.615
HBond Acceptor
9
HBond Donor
0
Total Polar Surface Area
145.75
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00088 | p-cresol |
|
Cc1ccc(cc1)O | 0.0134 |
| FDBF00361 | 2-methylpyridine |
|
n1c(cccc1)C | 0.0058 |
| FDBF04327 | 4-(2-pyridylmethyl)phenol |
|
Oc1ccc(cc1)Cc2ncccc2 | 0.0003 |
| FDBF04328 | 4-[(4-hydroxyphenyl)methyl]phenol |
|
Oc1ccc(cc1)Cc2ccc(cc2)O | 0.0003 |
