Fluorexon

The Fluorexon, with CAS registry number 1461-15-0, belongs to the following product categories: (1)Analytical Chemistry; (2)Chelating Reagents; (3)Complexones; (4)Photometric Reagents (Complexone). It has the systematic name of 2,2',2'',2'''-[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methanediylnitrilo)]tetraacetic acid. This chemical is a kind of orange crystals. And the chemical formula of this chemical is C₃₀H₂₆N₂O₁₃. What's more, this chemical is used in biology as it can be transported through the cellular membrane into live cells, which makes it useful for testing of cell viability and for short-term labeling of cells. It also can be used as a model for drug-drug interactions, for screening transporter substrates and/or inhibitors.

Physical properties of Fluorexon: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 3; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 15; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 14; (10)Polar Surface Area: 231.67 Å²; (11)Index of Refraction: 1.775; (12)Molar Refractivity: 148.663 cm³; (13)Molar Volume: 356.092 cm³; (14)Polarizability: 58.935×10^-24cm³; (15)Surface Tension: 119.841 dyne/cm; (16)Density: 1.748 g/cm³; (17)Flash Point: 529.97 °C; (18)Enthalpy of Vaporization: 145.285 kJ/mol; (19)Boiling Point: 952.693 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Fluorexon irritates to eyes, respiratory system and skin. And it is harmful by inhalation, in contact with skin and if swallowed. You should avoid contact with skin and eyes and not breathe dust. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(=O)OC23c4cc(c(cc4Oc5c3cc(c(c5)O)CN(CC(=O)O)CC(=O)O)O)CN(CC(=O)O)CC(=O)O
(2)InChI: InChI=1/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)
(3)InChIKey: DEGAKNSWVGKMLS-UHFFFAOYAD
(4)Std. InChI: 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)
(5)Std. InChIKey: DEGAKNSWVGKMLS-UHFFFAOYSA-N