Record Information
Version1.0
Creation Date2016-05-22 03:41:20 UTC
Update Date2016-11-09 01:15:27 UTC
Accession NumberCHEM016717
Identification
Common NameFoscarnet trisodium
ClassSmall Molecule
DescriptionThe trisodium salt of phosphonoformic acid. It is used as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity.
Contaminant Sources
  • HMDB Contaminants - Urine
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Foscarnet sodiqueChEBI
FOSCARNET sodiumChEBI
Foscarneto sodicoChEBI
Foscarnetum natricumChEBI
Trisodium carboxyphosphateChEBI
Trisodium carboxyphosphate (anhydrous)ChEBI
Trisodium dioxidophosphinecarboxylate oxideChEBI
Trisodium phosphonoformate (anhydrous)ChEBI
FoscavirKegg
Trisodium carboxyphosphoric acidGenerator
Trisodium carboxyphosphoric acid (anhydrous)Generator
Trisodium dioxidophosphinecarboxylic acid oxideGenerator
Trisodium phosphonoformic acid (anhydrous)Generator
Trisodium phosphonoformic acidGenerator
Foscarnet tripotassium saltMeSH
Foscarnet manganese (2+) (2:3) saltMeSH
Foscarnet barium (2:3) saltMeSH
Foscarnet trisodium saltMeSH
Foscarnet calcium (2:3) saltMeSH
FoscarnetMeSH
Foscarnet trilithium saltMeSH
Foscarnet sodium hexahydrateMeSH
Foscarnet magnesium (2:3) saltMeSH
Phosphonoformic acidMeSH
PhosphonoformateMeSH
Foscarnet disodium saltMeSH
Disodium salt, foscarnetMeSH
Phosphonoformate, trisodiumMeSH
Sodium, foscarnetMeSH
Sodium hexahydrate, foscarnetMeSH
Hexahydrate, foscarnet sodiumMeSH
Trilithium salt, foscarnetMeSH
Tripotassium salt, foscarnetMeSH
Trisodium salt, foscarnetMeSH
Trisodium phosphonoformateMeSH
Chemical FormulaCNa3O5P
Average Molecular Mass191.951 g/mol
Monoisotopic Mass191.918 g/mol
CAS Registry Number63585-09-1
IUPAC Nametrisodium phosphonatoformate
Traditional Nametrisodium foscarnet(3-)
SMILES[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O
InChI IdentifierInChI=1S/CH3O5P.3Na/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;/q;3*+1/p-3
InChI KeyDFHAXXVZCFXGOQ-UHFFFAOYSA-K
Chemical Taxonomy
Description belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphonic acids and derivatives
Sub ClassOrganic phosphonic acids
Direct ParentOrganic phosphonic acids
Alternative Parents
Substituents
  • Organophosphonic acid
  • Carbonic acid derivative
  • Organic alkali metal salt
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic sodium salt
  • Organic salt
  • Organophosphorus compound
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility46.9 g/LALOGPS
logP-0.31ALOGPS
logP-0.83ChemAxon
logS-0.61ALOGPS
pKa (Strongest Acidic)-0.096ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area103.32 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity27.67 m³·mol⁻¹ChemAxon
Polarizability6.83 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0900000000-ba0cfa4dc4f50ae25d73Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0900000000-ba0cfa4dc4f50ae25d73Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-0900000000-ba0cfa4dc4f50ae25d73Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDBSALT000200
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID141644
PubChem Compound ID44561
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available