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Chemical structure of Diquafosol Tetrasodium

GC31664

Diquafosol Tetrasodium

Also listed as Diquafosol tetrasodium (INS365)

Diquafosol tetrasodium (INS365) is a P2Y2 receptor agonist that stimulates fluid and mucin secretion on the ocular surface, as a topical treatment of dry eye disease

ChemicalCAS211427-08-6MW878.23FormulaC18H22N4Na4O23P4
CAS number
211427-08-6
Molecular weight
878.23
Formula
C18H22N4Na4O23P4
Solubility
Water ： ≥ 32 mg/mL (36·44 mM)
InChIKey
OWTGMPPCCUSXIP-FNXFGIETSA-J
Catalogue number
GC31664
Brand
GLPBIO
Computed properties PubChem CID 148196 · TPSA 405 Ų · H-bond donors 6 · H-bond acceptors 23
TPSA
405 Ų
H-bond donors
6
H-bond acceptors
23
Rotatable bonds
14
Heavy atoms
53

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+]

Computed descriptors from PubChem (CID 148196), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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