Rose bengal potassiumProduct ingredient for Rose bengal

Show full entry for Rose bengal
Name
Rose bengal potassium
Drug Entry
Rose bengal

Rose bengal is a pink stain derived as an analogue of fluorescein. Its disodium salt in ophthalmic solutions has been used as a diagnostic agent in suspected damage to conjunctival and corneal cells. It is also used in laboratory settings, including the preparation of Foraminifera for microscopic analysis and suppression of bacterial growth in several microbiological media. A direct cytotoxic effect of Rose bengal on microorganisms and cancer cells has been observed, questioning its potential antitumor actions via intralesional injections. The clinical applications of rose bengal as injectable formulation under the name PV-10 in melanoma, breast cancer and skin conditions such as eczema and psoriasis are being investigated in clinical trials.1

See full entry for Rose bengal
Accession Number
DBSALT002436
Structure
Similar Structures
Synonyms
Rose bengale B
External IDs
C.I. 45440 / C.I. acid red 94 / CI 45440
UNII
1ZPG1ELY14
CAS Number
632-68-8
Weight
Average: 1049.85
Monoisotopic: 1047.41093
Chemical Formula
C20H2Cl4I4K2O5
InChI Key
AZJPTIGZZTZIDR-UHFFFAOYSA-L
InChI
InChI=1S/C20H4Cl4I4O5.2K/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2
IUPAC Name
dipotassium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
SMILES
[K+].[K+].[O-]C(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C1=C2C=C(I)C(=O)C(I)=C2OC2=C(I)C([O-])=C(I)C=C12
ChemSpider
23773
ChEBI
52261
ChEMBL
CHEMBL594741
Predicted Properties
PropertyValueSource
Water Solubility0.000636 mg/mLALOGPS
logP5.82ALOGPS
logP8.78Chemaxon
logS-6.2ALOGPS
pKa (Strongest Acidic)2.55Chemaxon
pKa (Strongest Basic)1.89Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area89.49 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity197.44 m3·mol-1Chemaxon
Polarizability63.11 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon