Fluorescein sodiumProduct ingredient for Fluorescein

Name
Fluorescein sodium
Drug Entry
Fluorescein

A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium, such as the aqueous humor, and is used therapeutically as a diagnostic aid in corneal injuries and corneal trauma. It has been approved by FDA for use in externally applied drugs and cosmetics. (From Merck Index, 12th ed; American Medical Association Drug Evaluations; 1995, p2275)

Accession Number
DBSALT001432  (DBSALT000660)
Structure
Synonyms
D & C Yellow no. 8 / D&C Yellow No. 8 / Fluorescein disodium / Fluorescein disodium salt
UNII
93X55PE38X
CAS Number
518-47-8
Weight
Average: 376.275
Monoisotopic: 376.03236198
Chemical Formula
C20H10Na2O5
InChI Key
NJDNXYGOVLYJHP-UHFFFAOYSA-L
InChI
InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;;/h1-10,21H,(H,23,24);;/q;2*+1/p-2
IUPAC Name
disodium 2-(6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
SMILES
[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1C1=C2C=CC(=O)C=C2OC2=CC([O-])=CC=C12
ChemSpider
10163
ChEMBL
CHEMBL1628233
Wikipedia
Fluorescein
Predicted Properties
PropertyValueSource
Water Solubility0.00962 mg/mLALOGPS
logP3.49ALOGPS
logP2.65Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)3.7Chemaxon
pKa (Strongest Basic)2.85Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area89.49 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity124.8 m3·mol-1Chemaxon
Polarizability32.36 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon