Diquafosol

From DrugPedia: A Wikipedia for Drug discovery

{{Drugbox | IUPAC_name =tetrasodium[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl][(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate | PubChem = 148196 | DrugBank = | ChemSpiderID = | chemical_formula =C₁₈H₂₂N₄Na₄O₂₃P₄ | molecular_weight = 878.234404 | smiles = C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+] | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

[edit] Description

purinoceptor P2Y(2) receptor agonist

Diquafosol stimulates the eye surface cells directly to promote secretion of fluid and mucin and possibly stimulates lipid production in the meibomian glands as well. Because diquafosol stimulates fluid and mucin secretion directly on the ocular surface, it is believed to provide moisture and rehydration of the ocular surface independent of tear film secretion from the lacrimal gland.

[edit] General Properties

*Molecular Weight

878.234404

*Molecular Formula

C₁₈H₂₂N₄Na₄O₂₃P₄

*IUPAC NAME

tetrasodium[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl][(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

*Canonical Smiles

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]

*Isomeric Smiles

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]

*XLogP

N/A

*Topological Polar Surface Area

405