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Cyanine7.5 NHS ester
| Catalog Number | R01-0023 |
| Category | Cyanine7.5 |
| Molecular Formula | C49H52N3BF4O4 |
| Molecular Weight | 833.76 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Cyanine7.5 is a NIR dye with very long-wave emission. This product is amine-reactive derivative of this fluorophore.Near infrared radiation readily penetrates tissues and can be used for imaging applications in vivo.
Chemical Information
Product Specification
Computed Properties
| Related CAS | 1469278-04-3 (chloride) 1469541-54-5 (without anion) |
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 6-[1,1-dimethyl-2-[2-[3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanoate;trifluoroborane;fluoride |
| Canonical SMILES | B(F)(F)F.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=CC(=CC=C5C(C6=C(N5CCCCCC(=O)ON7C(=O)CCC7=O)C=CC8=CC=CC=C86)(C)C)CCC4)C.[F-] |
| InChI | InChI=1S/C49H52N3O4.BF3.FH/c1-48(2)41(50(5)39-25-23-35-16-8-10-18-37(35)46(39)48)27-21-33-14-13-15-34(32-33)22-28-42-49(3,4)47-38-19-11-9-17-36(38)24-26-40(47)51(42)31-12-6-7-20-45(55)56-52-43(53)29-30-44(52)54;2-1(3)4;/h8-11,16-19,21-28,32H,6-7,12-15,20,29-31H2,1-5H3;;1H/q+1;;/p-1 |
| InChIKey | ANRJFLVNIGGDJE-UHFFFAOYSA-M |
| Solubility | soluble in organic solvents (DMSO, DMF, dichloromethane), low solubility in water |
| Appearance | green powder |
| ε, L⋅mol-1⋅cm-1 | 223000 |
| Excitation | 788 |
| Emission | 808 |
| Storage | 12 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate. |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 833.3987000 g/mol |
| Monoisotopic Mass | 833.3987000 g/mol |
| Topological Polar Surface Area | 69.9Ų |
| Heavy Atom Count | 61 |
| Formal Charge | 0 |
| Complexity | 1690 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 3 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |
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