Fluorexon Trisodium Salt
[CAS# 336616-50-3]

Identification

• Name: Fluorexon Trisodium Salt
• Synonyms: 2-[[7'-[Bis(2-Oxido-2-Oxo-Ethyl)Ammoniomethyl]-3',6'-Dihydroxy-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-2'-Yl]Methyl-(2-Oxido-2-Oxo-Ethyl)Ammonio]Acetate; 2-[[7'-[Bis(2-Oxido-2-Oxoethyl)Ammoniomethyl]-3',6'-Dihydroxy-3-Oxo-2'-Spiro[Isobenzofuran-1,9'-Xanthene]Yl]Methyl-(2-Oxido-2-Oxoethyl)Ammonio]Acetate; 2-[[7'-[Bis(2-Keto-2-Oxido-Ethyl)Ammoniomethyl]-3',6'-Dihydroxy-3-Keto-Spiro[Isobenzofuran-1,9'-Xanthene]-2'-Yl]Methyl-(2-Keto-2-Oxido-Ethyl)Ammonio]Acetate
• Molecular Formula: C₃₀H₂₄N₂O₁₃
• Molecular Weight: 620.53
• CAS Registry Number: 336616-50-3
• SMILES: C1=C(C[NH+](CC([O-])=O)CC([O-])=O)C(=CC4=C1C2(OC(=O)C3=CC=CC=C23)C5=C(O4)C=C(O)C(=C5)C[NH+](CC([O-])=O)CC([O-])=O)O
• InChI: 1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)/p-2
• InChIKey: DEGAKNSWVGKMLS-UHFFFAOYSA-L

Properties

• Boiling point: 952.693°C at 760 mmHg (Cal.)
• Flash point: 529.97°C (Cal.)