ContaminantDB: Fluorescein sodium

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

Record Information

Version

1.0

Creation Date

2016-05-22 03:55:26 UTC

Update Date

2016-11-09 01:15:31 UTC

Accession Number

CHEM017089

Identification

Common Name

Fluorescein sodium

Class

Small Molecule

Description

Fluorescein is a manufactured organic compound and dye. It is available as a dark orange/red powder slightly soluble in water and alcohol. It is widely used as a fluorescent tracer for many applications. Fluorescein is a fluorophore commonly used in microscopy, in a type of dye laser as the gain medium, in forensics and serology to detect latent blood stains, and in dye tracing. Fluorescein has an absorption maximum at 494 nm and emission maximum of 512 nm (in water). The major derivatives are fluorescein isothiocyanate (FITC) and, in oligonucleotide synthesis, 6-FAM phosphoramidite. The color of its aqueous solution varies from green to orange as a function of the way it is observed: by reflection or by transmission, as can be noticed in bubble levels, for example, in which fluorescein is added as a colorant to the alcohol filling the tube in order to increase the visibility of the air bubble contained within (thus enhancing the precision of the instrument). More concentrated solutions of fluorescein can even appear red. It is on the World Health Organization's List of Essential Medicines, the most important medications needed in a basic health system.

Contaminant Sources

ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Fluorescein	MeSH
Diofluor	MeSH
Funduscein	MeSH
Ful glo	MeSH
Fluorescite	MeSH
Disodium fluorescein	MeSH
Fluoresceine, minims	MeSH
Sodium, fluorescein	MeSH
D And C yellow no. 7	MeSH
Fluorescein disodium salt	MeSH
Fluor I strip a.t.	MeSH
Monosodium salt, fluorescein	MeSH
D And C yellow no. 8	MeSH
Fluorescein, disodium	MeSH
Fluoresceina, colircusi	MeSH
Sodium fluorescein	MeSH
Fluorescein sodium	MeSH
Minims fluoresceine	MeSH
Fluorescéine sodique faure	MeSH
Ful-glo	MeSH
Minims fluorescein sodium	MeSH
Fluorescein sodium, minims	MeSH
Optifluor diba	MeSH
Fluorescein, sodium	MeSH
Fluorets	MeSH
Fluorescein monosodium salt	MeSH
Disodium salt, fluorescein	MeSH
Fluorescein dipotassium salt	MeSH
Colircusi fluoresceina	MeSH
Fluor-I-strip a.t.	MeSH
Minims stains	MeSH
Dipotassium salt, fluorescein	MeSH
Uranine	MeSH
Disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olic acid)	Generator

Chemical Formula

C₂₀H₁₀Na₂O₅

Average Molecular Mass

376.270 g/mol

Monoisotopic Mass

376.032 g/mol

CAS Registry Number

518-47-8

IUPAC Name

disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olate)

Traditional Name

disodium 3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olate)

SMILES

[Na+].[Na+].[O-]C1=CC2=C(C=C1)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C=C([O-])C=C1

InChI Identifier

InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;/h1-10,21-22H;;/q;2*+1/p-2

InChI Key

RGPLGPBQJOQFJS-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthenes

Alternative Parents

Substituents

Xanthene
Diaryl ether
Benzofuranone
Isobenzofuranone
Phthalide
Isocoumaran
Isobenzofuran
Phenoxide
Benzenoid
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Oxacycle
Organic alkali metal salt
Ether
Monocarboxylic acid or derivatives
Organic oxygen compound
Organooxygen compound
Organic zwitterion
Organic salt
Organic sodium salt
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	0.015 g/L	ALOGPS
logP	3.88	ALOGPS
logP	3.88	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	8.72	ChemAxon
pKa (Strongest Basic)	-6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	81.65 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	112.32 m³·mol⁻¹	ChemAxon
Polarizability	32.21 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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	splash10-004i-0009000000-befb723e4011008a66ad	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-0009000000-f863626554c639f367db	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00b9-7009000000-00c25a8351dfd514ea9f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0009000000-5c251e5b37a39b4dc1a7	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-0009000000-5c251e5b37a39b4dc1a7	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-0009000000-5c251e5b37a39b4dc1a7	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

DBSALT000660

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

Fluorescein

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

9885981

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

Fluorescein sodium (CHEM017089)

Structure for CHEM017089: Fluorescein sodium