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Chemical structure of R788 disodium

GC11811

R788 disodium

Also known as disodium;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate

R788 disodium (R788 Disodium) is the oral prodrug of the active compound R406

ChemicalCAS1025687-58-4MW624.42FormulaC23H24FN6Na2O9P
CAS number
1025687-58-4
Molecular weight
624.42
Formula
C23H24FN6Na2O9P
Solubility
≥ 62·4mg/mL in DMSO with gentle warming
InChIKey
HSYBQXDGYCYSGA-UHFFFAOYSA-L
Catalogue number
GC11811
Brand
GLPBIO
Computed properties PubChem CID 25008120 · TPSA 192 Ų · H-bond donors 2 · H-bond acceptors 15
TPSA
192 Ų
H-bond donors
2
H-bond acceptors
15
Rotatable bonds
9
Heavy atoms
42

SMILES CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)([O-])[O-])C.[Na+].[Na+]

Computed descriptors from PubChem (CID 25008120), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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