ContaminantDB: Foscarnet trisodium

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-22 03:41:20 UTC

Update Date

2016-11-09 01:15:27 UTC

Accession Number

CHEM016717

Identification

Common Name

Foscarnet trisodium

Class

Small Molecule

Description

The 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 Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Foscarnet sodique	ChEBI
FOSCARNET sodium	ChEBI
Foscarneto sodico	ChEBI
Foscarnetum natricum	ChEBI
Trisodium carboxyphosphate	ChEBI
Trisodium carboxyphosphate (anhydrous)	ChEBI
Trisodium dioxidophosphinecarboxylate oxide	ChEBI
Trisodium phosphonoformate (anhydrous)	ChEBI
Foscavir	Kegg
Trisodium carboxyphosphoric acid	Generator
Trisodium carboxyphosphoric acid (anhydrous)	Generator
Trisodium dioxidophosphinecarboxylic acid oxide	Generator
Trisodium phosphonoformic acid (anhydrous)	Generator
Trisodium phosphonoformic acid	Generator
Foscarnet tripotassium salt	MeSH
Foscarnet manganese (2+) (2:3) salt	MeSH
Foscarnet barium (2:3) salt	MeSH
Foscarnet trisodium salt	MeSH
Foscarnet calcium (2:3) salt	MeSH
Foscarnet	MeSH
Foscarnet trilithium salt	MeSH
Foscarnet sodium hexahydrate	MeSH
Foscarnet magnesium (2:3) salt	MeSH
Phosphonoformic acid	MeSH
Phosphonoformate	MeSH
Foscarnet disodium salt	MeSH
Disodium salt, foscarnet	MeSH
Phosphonoformate, trisodium	MeSH
Sodium, foscarnet	MeSH
Sodium hexahydrate, foscarnet	MeSH
Hexahydrate, foscarnet sodium	MeSH
Trilithium salt, foscarnet	MeSH
Tripotassium salt, foscarnet	MeSH
Trisodium salt, foscarnet	MeSH
Trisodium phosphonoformate	MeSH

Chemical Formula

CNa₃O₅P

Average Molecular Mass

191.951 g/mol

Monoisotopic Mass

191.918 g/mol

CAS Registry Number

63585-09-1

IUPAC Name

trisodium phosphonatoformate

Traditional Name

trisodium foscarnet(3-)

SMILES

[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O

InChI Identifier

InChI=1S/CH3O5P.3Na/c2-1(3)7(4,5)6;;;/h(H,2,3)(H2,4,5,6);;;/q;3*+1/p-3

InChI Key

DFHAXXVZCFXGOQ-UHFFFAOYSA-K

Chemical Taxonomy

Description

belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic phosphonic acids and derivatives

Sub Class

Organic phosphonic acids

Direct Parent

Organic 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 Framework

Aliphatic acyclic compounds

External Descriptors

one-carbon compound (CHEBI:141644 )
organic sodium salt (CHEBI:141644 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	46.9 g/L	ALOGPS
logP	-0.31	ALOGPS
logP	-0.83	ChemAxon
logS	-0.61	ALOGPS
pKa (Strongest Acidic)	-0.096	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	103.32 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	27.67 m³·mol⁻¹	ChemAxon
Polarizability	6.83 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0900000000-ba0cfa4dc4f50ae25d73	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-0900000000-ba0cfa4dc4f50ae25d73	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-0900000000-ba0cfa4dc4f50ae25d73	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DBSALT000200

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

141644

PubChem Compound ID

44561

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Foscarnet trisodium (CHEM016717)

Structure for CHEM016717: Foscarnet trisodium