diquafosol

Ligand id: 1736

Name: diquafosol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 27
Hydrogen bond donors 10
Rotatable bonds 14
Topological polar surface area 432.79
Molecular weight 789.99
XLogP -9
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
International Nonproprietary Names
INN number INN
8326 diquafosol
Synonyms
INS-365 | INS365
Database Links
BindingDB Ligand 50096297
CAS Registry No. 59985-21-6 (source: Scifinder)
ChEBI CHEBI:27791
ChEMBL Ligand CHEMBL221326
PubChem CID 148197
Search Google for chemical match using the InChIKey NMLMACJWHPHKGR-NCOIDOBVSA-N
Search Google for chemicals with the same backbone NMLMACJWHPHKGR
Search PubMed clinical trials diquafosol
Search PubMed titles diquafosol
Search PubMed titles/abstracts diquafosol
Search UniChem for chemical match using the InChIKey NMLMACJWHPHKGR-NCOIDOBVSA-N
Search UniChem for chemicals with the same backbone NMLMACJWHPHKGR
Wikipedia Diquafosol
Comments
The USAN specifies the tetrasodium salt formulation.