Fluorescein sodium (CED0000636)

Record Information

Version

1.0

Creation Date

2016-05-22 03:55:26 UTC

Update Date

2026-04-05 17:52:32 UTC

Accession Number

CHEM017089

Identification

Common Name

Fluorescein sodium

Class

Small Molecule

Description

Fluorescein sodium is an organic compound with the formula C20H10Na2O5 and an average molecular weight of 376.27 g/mol. Fluorescein sodium belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. It is classified as an organoheterocyclic compound and is utilized as an industrial dye. This substance is found in or released from one recorded source: food, food processing & cookware, specifically in the preparation of vinegar.

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

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

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	Yes	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	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0009000000-befb723e4011008a66ad	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0009000000-f863626554c639f367db	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00b9-7009000000-00c25a8351dfd514ea9f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0009000000-5c251e5b37a39b4dc1a7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0009000000-5c251e5b37a39b4dc1a7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0009000000-5c251e5b37a39b4dc1a7	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1554.0	Log mg/kg	[870:2800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Thymidylate synthase	P00469	Lactobacillus casei	Predicted (SEA)	11.0546
Click to view 3D structure	Thymidylate synthase	P0A884	Escherichia coli (strain K12)	Predicted (SEA)	0.389246
Click to view 3D structure	Mothers against decapentaplegic homolog 3	P84022	Humans	Predicted (SEA)	0.622794
Click to view 3D structure	Thymidylate synthase	P04818	Humans	Predicted (SEA)	14.7135
Click to view 3D structure	Thymidylate synthase	P0CS13	Cryptococcus neoformans var. neoformans B-3501A	Predicted (SEA)	0.389246
Click to view 3D structure	Thymidylate synthase	C3SWJ7	Escherichia coli	Predicted (SEA)	11.2881
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	1184.09
Click to view 3D structure	Alpha-ketoglutarate-dependent dioxygenase FTO	Q9C0B1	Humans	Predicted (SEA)	27.7922
Click to view 3D structure	Thymidylate synthase	Q834R3	Enterococcus faecalis (strain ATCC 700802 / V583)	Predicted (SEA)	1.94623
Click to view 3D structure	Tyrosyl-DNA phosphodiesterase 2	O95551	Humans	Predicted (SEA)	66.0161
Click to view 3D structure	G-protein coupled receptor 55	Q9Y2T6	Humans	Predicted (SEA)	651.287
Click to view 3D structure	NAD-dependent histone deacetylase SIR2	P06700	Saccharomyces cerevisiae S288c	Predicted (SEA)	5.91654
Click to view 3D structure	Apoptotic protease-activating factor 1	O14727	Humans	Predicted (SEA)	406.996
Click to view 3D structure	Protein S100-A4	P26447	Humans	Predicted (SEA)	13.935
Click to view 3D structure	Sentrin-specific protease 8	Q96LD8	Humans	Predicted (SEA)	556.7
Click to view 3D structure	Dihydrofolate reductase	P00374	Humans	Predicted (SEA)	489.438
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	877.205
Click to view 3D structure	Solute carrier family 22 member 6	Q8VC69	Mus musculus	Predicted (SEA)	3.03612
Click to view 3D structure	Receptor-type tyrosine-protein phosphatase C	P08575	Humans	Predicted (SEA)	277.532
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	1778.47
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	2360.62
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	724.776
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	2410.29
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	2869.91
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	2244.86